Pyrazole

Organische heterozyklische Verbindungen, die aus einem fünfgliedrigen Ring aus drei Kohlenstoffatomen und zwei benachbarten Stickstoffatomen mit folgender Formel bestehen: Câ‚ƒHâ‚ƒNâ‚‚H.

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N,N'-Di-Boc-1H-Pyrazol-1-carboxamidin, ≥ 98 %, Thermo Scientific Chemicals

CAS: 152120-54-2 Summenformel: C14H22N4O4 Molekulargewicht (g/mol): 310.354 MDL-Nummer: MFCD01075122 InChI-Schlüssel: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC-Name: Tert-Butyl (NZ)-N-[[(2-Methylpropan-2-yl)Oxycarbonylamino]-Pyrazol-1-ylmethyliden]Carbamat SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

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InChI-Schlüssel	QFNFDHNZVTWZED-UHFFFAOYSA-N
IUPAC-Name	Tert-Butyl (NZ)-N-[[(2-Methylpropan-2-yl)Oxycarbonylamino]-Pyrazol-1-ylmethyliden]Carbamat
PubChem CID	6383521
CAS	152120-54-2
MDL-Nummer	MFCD01075122
Molekulargewicht (g/mol)	310.354
SMILES	CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
Synonym	n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole
Summenformel	C14H22N4O4

4-Methylpyrazol, 97 %, Thermo Scientific Chemicals

CAS: 7554-65-6 Summenformel: C₄H₆N₂ Molekulargewicht (g/mol): 82.11 InChI-Schlüssel: RIKMMFOAQPJVMX-UHFFFAOYSA-N Synonym: 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn PubChem CID: 3406 ChEBI: CHEBI:5141 IUPAC-Name: 4-Methyl-1H-Pyrazol SMILES: CC1=CNN=C1

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InChI-Schlüssel	RIKMMFOAQPJVMX-UHFFFAOYSA-N
IUPAC-Name	4-Methyl-1H-Pyrazol
PubChem CID	3406
CAS	7554-65-6
ChEBI	CHEBI:5141
Molekulargewicht (g/mol)	82.11
SMILES	CC1=CNN=C1
Synonym	4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn
Summenformel	C₄H₆N₂

3,5-Dimethylpyrazol, 99 %, Thermo Scientific Chemicals

CAS: 67-51-6 Summenformel: C5H8N2 Molekulargewicht (g/mol): 96.13 MDL-Nummer: MFCD00005243 InChI-Schlüssel: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC-Name: 3,5-Dimethyl-1H-Pyrazol SMILES: CC1=CC(C)=NN1

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InChI-Schlüssel	SDXAWLJRERMRKF-UHFFFAOYSA-N
IUPAC-Name	3,5-Dimethyl-1H-Pyrazol
PubChem CID	6210
CAS	67-51-6
MDL-Nummer	MFCD00005243
Molekulargewicht (g/mol)	96.13
SMILES	CC1=CC(C)=NN1
Synonym	3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256
Summenformel	C5H8N2

Benzydamine hydrochloride

CAS: 132-69-4 Summenformel: C19H24ClN3O Molekulargewicht (g/mol): 345.871 MDL-Nummer: MFCD00078957 InChI-Schlüssel: HNNIWKQLJSNAEQ-UHFFFAOYSA-N Synonym: benzydamine hydrochloride,benzydamine hcl,benalgin,benzindamine hydrochloride,benzidamine hydrochloride,benzidan,benzyrin,difflam,dorinamin,enzamin PubChem CID: 65464 IUPAC-Name: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride SMILES: CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl

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InChI-Schlüssel	HNNIWKQLJSNAEQ-UHFFFAOYSA-N
IUPAC-Name	3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID	65464
CAS	132-69-4
MDL-Nummer	MFCD00078957
Molekulargewicht (g/mol)	345.871
SMILES	CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl
Synonym	benzydamine hydrochloride,benzydamine hcl,benalgin,benzindamine hydrochloride,benzidamine hydrochloride,benzidan,benzyrin,difflam,dorinamin,enzamin
Summenformel	C19H24ClN3O

Thermo Scientific Chemicals 4-Hydroxypyrazol[3,4-d]pyrimidin, 98 %

CAS: 315-30-0 Summenformel: C5H4N4O Molekulargewicht (g/mol): 136.11 MDL-Nummer: MFCD00599413 InChI-Schlüssel: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC-Name: 1,2-Dihydropyrazol[3,4-d]Pyrimidin-4-on SMILES: O=C1N=CN=C2NNC=C12

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InChI-Schlüssel	OFCNXPDARWKPPY-UHFFFAOYSA-N
IUPAC-Name	1,2-Dihydropyrazol[3,4-d]Pyrimidin-4-on
PubChem CID	2094
CAS	315-30-0
ChEBI	CHEBI:40279
MDL-Nummer	MFCD00599413
Molekulargewicht (g/mol)	136.11
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
Summenformel	C5H4N4O

3,5-Dimethyl-1H-pyrazol-4-sulfonylchlorid, 97 %, Thermo Scientific Chemicals

CAS: 80466-78-0 Summenformel: C5H7ClN2O2S Molekulargewicht (g/mol): 194.63 MDL-Nummer: MFCD04969910 InChI-Schlüssel: NBGSZCQLPLYKJH-UHFFFAOYSA-N Synonym: 1h-pyrazole-4-sulfonylchloride, 3,5-dimethyl,3,5-dimethylpyrazol-4-yl chlorosulfone,1h-pyrazole-4-sulfonyl chloride, 3,5-dimethyl,pyrazole, 4-chlorosulfonyl-3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-sulfonylchloride,# PubChem CID: 594587 IUPAC-Name: 3,5-Dimethyl-1H-Pyrazol-4-Sulfonylchlorid SMILES: CC1=C(C(C)=NN1)S(Cl)(=O)=O

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InChI-Schlüssel	NBGSZCQLPLYKJH-UHFFFAOYSA-N
IUPAC-Name	3,5-Dimethyl-1H-Pyrazol-4-Sulfonylchlorid
PubChem CID	594587
CAS	80466-78-0
MDL-Nummer	MFCD04969910
Molekulargewicht (g/mol)	194.63
SMILES	CC1=C(C(C)=NN1)S(Cl)(=O)=O
Synonym	1h-pyrazole-4-sulfonylchloride, 3,5-dimethyl,3,5-dimethylpyrazol-4-yl chlorosulfone,1h-pyrazole-4-sulfonyl chloride, 3,5-dimethyl,pyrazole, 4-chlorosulfonyl-3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-sulfonylchloride,#
Summenformel	C5H7ClN2O2S

1-Methyl-5-phenoxy-3-(trifluormethyl)-1H-pyrazol-4-carbaldehyd, 97 %, Thermo Scientific™

CAS: 109925-42-0 Summenformel: C12H9F3N2O2 Molekulargewicht (g/mol): 270.211 MDL-Nummer: MFCD01936001 InChI-Schlüssel: JDLPKSIFGPLXAU-UHFFFAOYSA-N Synonym: 1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl pyrazole-4-carbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl,acmc-20a3tk,methylphenoxytrifluoromethylpyrazolecarbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carboxyaldehyde PubChem CID: 2775493 IUPAC-Name: 1-Methyl-5-Phenoxy-3-(Trifluormethyl)Pyrazol-4-Carbaldehyd SMILES: CN1C(=C(C(=N1)C(F)(F)F)C=O)OC2=CC=CC=C2

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InChI-Schlüssel	JDLPKSIFGPLXAU-UHFFFAOYSA-N
IUPAC-Name	1-Methyl-5-Phenoxy-3-(Trifluormethyl)Pyrazol-4-Carbaldehyd
PubChem CID	2775493
CAS	109925-42-0
MDL-Nummer	MFCD01936001
Molekulargewicht (g/mol)	270.211
SMILES	CN1C(=C(C(=N1)C(F)(F)F)C=O)OC2=CC=CC=C2
Synonym	1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl pyrazole-4-carbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl,acmc-20a3tk,methylphenoxytrifluoromethylpyrazolecarbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carboxyaldehyde
Summenformel	C12H9F3N2O2

5-Brom-1H-indazol, 97 %, Thermo Scientific Chemicals

CAS: 53857-57-1 Summenformel: C7H5BrN2 Molekulargewicht (g/mol): 197.04 MDL-Nummer: MFCD00839493,MFCD26227374 InChI-Schlüssel: STVHMYNPQCLUNJ-UHFFFAOYSA-N Synonym: 5-bromoindazole,5-bromo-2h-indazole,1h-indazole, 5-bromo,5-bromo-1hindazole,chembl16425,5-brom-1h-indazol,5-bromoazaindole,5-bromo indazole,5-bromo-indazole PubChem CID: 761929 IUPAC-Name: 5-Brom-1H-Indazol SMILES: BrC1=CC=C2NN=CC2=C1

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InChI-Schlüssel	STVHMYNPQCLUNJ-UHFFFAOYSA-N
IUPAC-Name	5-Brom-1H-Indazol
PubChem CID	761929
CAS	53857-57-1
MDL-Nummer	MFCD00839493,MFCD26227374
Molekulargewicht (g/mol)	197.04
SMILES	BrC1=CC=C2NN=CC2=C1
Synonym	5-bromoindazole,5-bromo-2h-indazole,1h-indazole, 5-bromo,5-bromo-1hindazole,chembl16425,5-brom-1h-indazol,5-bromoazaindole,5-bromo indazole,5-bromo-indazole
Summenformel	C7H5BrN2

3-Amino-4-ethyl-1H-pyrazol, 98 %, Thermo Scientific Chemicals

CAS: 43024-15-3 Summenformel: C5H9N3 Molekulargewicht (g/mol): 111.15 MDL-Nummer: MFCD06797570 InChI-Schlüssel: RDCODVKTTJWFAR-UHFFFAOYSA-N Synonym: 4-ethyl-1h-pyrazol-3-amine,3-amino-4-ethylpyrazole,3-amino-4-ethyl-1h-pyrazole,4-ethyl-2h-pyrazol-3-amine,3-amino-4-ethyl pyrazole,4-ethyl-1h-pyrazol-3-ylamine,1h-pyrazol-3-amine, 4-ethyl PubChem CID: 11789157 IUPAC-Name: 4-Ethyl-1H-Pyrazol-5-Amin SMILES: CCC1=C(N)NN=C1

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InChI-Schlüssel	RDCODVKTTJWFAR-UHFFFAOYSA-N
IUPAC-Name	4-Ethyl-1H-Pyrazol-5-Amin
PubChem CID	11789157
CAS	43024-15-3
MDL-Nummer	MFCD06797570
Molekulargewicht (g/mol)	111.15
SMILES	CCC1=C(N)NN=C1
Synonym	4-ethyl-1h-pyrazol-3-amine,3-amino-4-ethylpyrazole,3-amino-4-ethyl-1h-pyrazole,4-ethyl-2h-pyrazol-3-amine,3-amino-4-ethyl pyrazole,4-ethyl-1h-pyrazol-3-ylamine,1h-pyrazol-3-amine, 4-ethyl
Summenformel	C5H9N3

1,3-Dimethyl-1H-pyrazol-5-amin, 97 %, Thermo Scientific™

CAS: 3524-32-1 Summenformel: C5H9N3 Molekulargewicht (g/mol): 111.148 MDL-Nummer: MFCD00051651 InChI-Schlüssel: ZFDGMMZLXSFNFU-UHFFFAOYSA-N Synonym: 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole PubChem CID: 520721 IUPAC-Name: 2,5-Dimethylpyrazol-3-Amin SMILES: CC1=NN(C(=C1)N)C

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InChI-Schlüssel	ZFDGMMZLXSFNFU-UHFFFAOYSA-N
IUPAC-Name	2,5-Dimethylpyrazol-3-Amin
PubChem CID	520721
CAS	3524-32-1
MDL-Nummer	MFCD00051651
Molekulargewicht (g/mol)	111.148
SMILES	CC1=NN(C(=C1)N)C
Synonym	5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole
Summenformel	C5H9N3

1-Methyl-3-(trifluormethyl)-1H-pyrazol-4-sulfonylchlorid, 97+%, Thermo Scientific™

CAS: 519056-67-8 Summenformel: C5H4ClF3N2O2S Molekulargewicht (g/mol): 248.604 InChI-Schlüssel: HJFWSNIHZZKYIK-UHFFFAOYSA-N Synonym: 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl PubChem CID: 2794561 IUPAC-Name: 1-Methyl-3-(Trifluormethyl)Pyrazol-4-Sulfonylchlorid SMILES: CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl

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InChI-Schlüssel	HJFWSNIHZZKYIK-UHFFFAOYSA-N
IUPAC-Name	1-Methyl-3-(Trifluormethyl)Pyrazol-4-Sulfonylchlorid
PubChem CID	2794561
CAS	519056-67-8
Molekulargewicht (g/mol)	248.604
SMILES	CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl
Synonym	1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl
Summenformel	C5H4ClF3N2O2S

1H-Indazol-4-carboxaldehyd, 97 %, Thermo Scientific Chemicals

CAS: 669050-70-8 Summenformel: C₈H₆N₂O Molekulargewicht (g/mol): 146.15 MDL-Nummer: MFCD06738279 InChI-Schlüssel: FPJXNCKSPFGQGC-UHFFFAOYSA-N Synonym: 4-formylindazole,1h-indazole-4-carboxaldehyde,4-formyl-1h-indazole,1h-indazol-4-carboxaldehyde,pubchem22512,acmc-209nwx,1h-indazole-4-carboxaldehyde 9ci PubChem CID: 45083569 IUPAC-Name: 1H-Indazol-4-Carbaldehyd SMILES: C1=CC(=C2C=NNC2=C1)C=O

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InChI-Schlüssel	FPJXNCKSPFGQGC-UHFFFAOYSA-N
IUPAC-Name	1H-Indazol-4-Carbaldehyd
PubChem CID	45083569
CAS	669050-70-8
MDL-Nummer	MFCD06738279
Molekulargewicht (g/mol)	146.15
SMILES	C1=CC(=C2C=NNC2=C1)C=O
Synonym	4-formylindazole,1h-indazole-4-carboxaldehyde,4-formyl-1h-indazole,1h-indazol-4-carboxaldehyde,pubchem22512,acmc-209nwx,1h-indazole-4-carboxaldehyde 9ci
Summenformel	C₈H₆N₂O

3-Methyl-1H-pyrazol, 97 %, Thermo Scientific Chemicals

CAS: 1453-58-3 Summenformel: C4H6N2 Molekulargewicht (g/mol): 82.11 MDL-Nummer: MFCD00005240,MFCD08685900 InChI-Schlüssel: XKVUYEYANWFIJX-UHFFFAOYSA-N PubChem CID: 15073 IUPAC-Name: 5-Methyl-1H-Pyrazol SMILES: CC1=CC=NN1

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InChI-Schlüssel	XKVUYEYANWFIJX-UHFFFAOYSA-N
IUPAC-Name	5-Methyl-1H-Pyrazol
PubChem CID	15073
CAS	1453-58-3
MDL-Nummer	MFCD00005240,MFCD08685900
Molekulargewicht (g/mol)	82.11
SMILES	CC1=CC=NN1
Summenformel	C4H6N2

4-Trifluormethyl-1H-pyrazol, 97 %, Thermo Scientific Chemicals

CAS: 52222-73-8 Summenformel: C4H3F3N2 Molekulargewicht (g/mol): 136.077 MDL-Nummer: MFCD11226572 InChI-Schlüssel: KDEJQUNODYXYBJ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl-1h-pyrazole,1h-pyrazole, 4-trifluoromethyl,4-trifluoromethylpyrazole,4-trifluoromethyl pyrazole,4-trifluoromethyl-1 h-pyrazole,4-trifluoromethyl ;-1h-pyrazole PubChem CID: 12777795 IUPAC-Name: 4-(Trifluormethyl)-1H-Pyrazol SMILES: C1=C(C=NN1)C(F)(F)F

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InChI-Schlüssel	KDEJQUNODYXYBJ-UHFFFAOYSA-N
IUPAC-Name	4-(Trifluormethyl)-1H-Pyrazol
PubChem CID	12777795
CAS	52222-73-8
MDL-Nummer	MFCD11226572
Molekulargewicht (g/mol)	136.077
SMILES	C1=C(C=NN1)C(F)(F)F
Synonym	4-trifluoromethyl-1h-pyrazole,1h-pyrazole, 4-trifluoromethyl,4-trifluoromethylpyrazole,4-trifluoromethyl pyrazole,4-trifluoromethyl-1 h-pyrazole,4-trifluoromethyl ;-1h-pyrazole
Summenformel	C4H3F3N2

5-(Chlormethyl)-1,3-dimethyl-1h-pyrazol, 97 %, Thermo Scientific™

CAS: 852227-86-2 Summenformel: C6H9ClN2 Molekulargewicht (g/mol): 144.60 MDL-Nummer: MFCD07368502 InChI-Schlüssel: SGEZKPNUNBVVLB-UHFFFAOYSA-N PubChem CID: 4961270 SMILES: CN1N=C(C)C=C1CCl

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InChI-Schlüssel	SGEZKPNUNBVVLB-UHFFFAOYSA-N
PubChem CID	4961270
CAS	852227-86-2
MDL-Nummer	MFCD07368502
Molekulargewicht (g/mol)	144.60
SMILES	CN1N=C(C)C=C1CCl
Summenformel	C6H9ClN2

Pyrazole

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