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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6-Iod-1H-indazol, 97 %, Thermo Scientific™

CAS: 261953-36-0 Summenformel: C₇H₅IN₂ Molekulargewicht (g/mol): 244.03 MDL-Nummer: MFCD04114695 InChI-Schlüssel: RSGAXJZKQDNFEP-UHFFFAOYSA-N Synonym: 6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo PubChem CID: 12991241 IUPAC-Name: 6-Iod-1H-Indazol SMILES: C1=CC2=C(C=C1I)NN=C2

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InChI-Schlüssel	RSGAXJZKQDNFEP-UHFFFAOYSA-N
IUPAC-Name	6-Iod-1H-Indazol
PubChem CID	12991241
CAS	261953-36-0
MDL-Nummer	MFCD04114695
Molekulargewicht (g/mol)	244.03
SMILES	C1=CC2=C(C=C1I)NN=C2
Synonym	6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo
Summenformel	C₇H₅IN₂

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

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

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1-Methylpyrazol, 98 %, Thermo Scientific Chemicals

CAS: 930-36-9 Summenformel: C₄H₆N₂ Molekulargewicht (g/mol): 82.1 MDL-Nummer: MFCD00144943 InChI-Schlüssel: UQFQONCQIQEYPJ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole,n-methylpyrazole,1h-pyrazole, 1-methyl,pyrazole, 1-methyl,methylpyrazole,1-methyl pyrazole,1-methypyrazole,n-methyl pyrazole,1-methyl-pyrazole,zlchem 255 PubChem CID: 70255 ChEBI: CHEBI:59025 IUPAC-Name: 1-Methylpyrazol SMILES: CN1C=CC=N1

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InChI-Schlüssel	UQFQONCQIQEYPJ-UHFFFAOYSA-N
IUPAC-Name	1-Methylpyrazol
PubChem CID	70255
CAS	930-36-9
ChEBI	CHEBI:59025
MDL-Nummer	MFCD00144943
Molekulargewicht (g/mol)	82.1
SMILES	CN1C=CC=N1
Synonym	1-methyl-1h-pyrazole,n-methylpyrazole,1h-pyrazole, 1-methyl,pyrazole, 1-methyl,methylpyrazole,1-methyl pyrazole,1-methypyrazole,n-methyl pyrazole,1-methyl-pyrazole,zlchem 255
Summenformel	C₄H₆N₂

3-Brom-7-nitroindazol, ≥ 98 %, Thermo Scientific Chemicals

CAS: 74209-34-0 Summenformel: C7H4BrN3O2 Molekulargewicht (g/mol): 242.03 MDL-Nummer: MFCD00159910 InChI-Schlüssel: NFSTZPMYAZRZPC-UHFFFAOYSA-N Synonym: 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj PubChem CID: 1649 IUPAC-Name: 3-Brom-7-Nitro-2H-Indazol SMILES: [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12

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InChI-Schlüssel	NFSTZPMYAZRZPC-UHFFFAOYSA-N
IUPAC-Name	3-Brom-7-Nitro-2H-Indazol
PubChem CID	1649
CAS	74209-34-0
MDL-Nummer	MFCD00159910
Molekulargewicht (g/mol)	242.03
SMILES	[O-][N+](=O)C1=CC=CC2=C(Br)NN=C12
Synonym	3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj
Summenformel	C7H4BrN3O2

3-Amino-1H-indazol, 97 %, Thermo Scientific Chemicals

CAS: 874-05-5 Summenformel: C7H7N3 Molekulargewicht (g/mol): 133.154 MDL-Nummer: MFCD00182045 InChI-Schlüssel: YDTDKKULPWTHRV-UHFFFAOYSA-N Synonym: 3-amino-1h-indazole,1h-indazol-3-ylamine,3-aminoindazole,3-indazolamine,2h-indazol-3-amine,1h-indazole, 3-amino,aminoindazole,amino-indazole,1h-indazole-3-ylamine,indazole amine PubChem CID: 13399 IUPAC-Name: 1H-Indazol-3-Amin SMILES: C1=CC=C2C(=C1)C(=NN2)N

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InChI-Schlüssel	YDTDKKULPWTHRV-UHFFFAOYSA-N
IUPAC-Name	1H-Indazol-3-Amin
PubChem CID	13399
CAS	874-05-5
MDL-Nummer	MFCD00182045
Molekulargewicht (g/mol)	133.154
SMILES	C1=CC=C2C(=C1)C(=NN2)N
Synonym	3-amino-1h-indazole,1h-indazol-3-ylamine,3-aminoindazole,3-indazolamine,2h-indazol-3-amine,1h-indazole, 3-amino,aminoindazole,amino-indazole,1h-indazole-3-ylamine,indazole amine
Summenformel	C7H7N3

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

CAS: 20154-03-4 Summenformel: C4H3F3N2 Molekulargewicht (g/mol): 136.077 MDL-Nummer: MFCD00115018 InChI-Schlüssel: PYXNITNKYBLBMW-UHFFFAOYSA-N Synonym: 3-trifluoromethyl pyrazole,3-trifluoromethyl-1h-pyrazole,5-trifluoromethyl-1h-pyrazole,3-trifluoromethylpyrazole,trifluoromethylpyrazole,1h-pyrazole, 3-trifluoromethyl,3-trifluoromethyl-2h-pyrazole,pubchem10164,pubchem10423 PubChem CID: 1807034 IUPAC-Name: 5-(Trifluormethyl)-1H-Pyrazol SMILES: C1=C(NN=C1)C(F)(F)F

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InChI-Schlüssel	PYXNITNKYBLBMW-UHFFFAOYSA-N
IUPAC-Name	5-(Trifluormethyl)-1H-Pyrazol
PubChem CID	1807034
CAS	20154-03-4
MDL-Nummer	MFCD00115018
Molekulargewicht (g/mol)	136.077
SMILES	C1=C(NN=C1)C(F)(F)F
Synonym	3-trifluoromethyl pyrazole,3-trifluoromethyl-1h-pyrazole,5-trifluoromethyl-1h-pyrazole,3-trifluoromethylpyrazole,trifluoromethylpyrazole,1h-pyrazole, 3-trifluoromethyl,3-trifluoromethyl-2h-pyrazole,pubchem10164,pubchem10423
Summenformel	C4H3F3N2

Methyl-4-(1H-pyrazol-1-ylmethyl)benzoat, 97 %, Thermo Scientific™

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4-Amino-1-methyl-1H-pyrazol, 97 %, Thermo Scientific Chemicals

CAS: 69843-13-6 Summenformel: C4H7N3 Molekulargewicht (g/mol): 97.121 MDL-Nummer: MFCD05667135 InChI-Schlüssel: LBGSWBJURUFGLR-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-4-amine,1-methyl-1h-pyrazol-4-ylamine,4-amino-1-methylpyrazole,1h-pyrazol-4-amine, 1-methyl,1-methyl-1h-pyrazole-4-ylamine,4-amino-1-methyl-1h-pyrazole,1-methylpyrazole-4-ylamine,acmc-20a0x1,4-amino-1-methyl-pyrazole,1-methyl-1h-pyrazole-4-amine PubChem CID: 4770990 IUPAC-Name: 1-Methylpyrazol-4-Amin SMILES: CN1C=C(C=N1)N

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InChI-Schlüssel	LBGSWBJURUFGLR-UHFFFAOYSA-N
IUPAC-Name	1-Methylpyrazol-4-Amin
PubChem CID	4770990
CAS	69843-13-6
MDL-Nummer	MFCD05667135
Molekulargewicht (g/mol)	97.121
SMILES	CN1C=C(C=N1)N
Synonym	1-methyl-1h-pyrazol-4-amine,1-methyl-1h-pyrazol-4-ylamine,4-amino-1-methylpyrazole,1h-pyrazol-4-amine, 1-methyl,1-methyl-1h-pyrazole-4-ylamine,4-amino-1-methyl-1h-pyrazole,1-methylpyrazole-4-ylamine,acmc-20a0x1,4-amino-1-methyl-pyrazole,1-methyl-1h-pyrazole-4-amine
Summenformel	C4H7N3

N-Boc-1H-pyrazol-1-carboxamidin, ≥ 98 %, Thermo Scientific Chemicals

CAS: 152120-61-1 Summenformel: C9H14N4O2 Molekulargewicht (g/mol): 210.237 MDL-Nummer: MFCD00216663 InChI-Schlüssel: IGSFMHYSWZUENI-UHFFFAOYSA-N Synonym: n-boc-1-guanylpyrazole,n-boc-1h-pyrazole-1-carboxamidine,n-boc-pyrazole-1-carboxamidine,n-tert-butoxycarbonyl-1h-pyrazole-1-carboxamidine,tert-butyl 1e-amino 1h-pyrazol-1-yl methylene carbamate,n-tert-butoxycarbonyl-1 h-pyrazole-1-carboxamidine,h-pyrazole-1-carboxamidine hcl,1h-pyrazole-n-t-butyloxycarbonyl-1-carboxamidine,tert-butoxy-n-iminopyrazolylmethyl carboxamide,tert-butyl imino 1h-pyrazol-1-yl methylcarbamate PubChem CID: 9605068 IUPAC-Name: Tert-Butyl (NE)-N-[Amino(Pyrazol-1-yl)Methyliden]Carbamat SMILES: CC(C)(C)OC(=O)N=C(N)N1C=CC=N1

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InChI-Schlüssel	IGSFMHYSWZUENI-UHFFFAOYSA-N
IUPAC-Name	Tert-Butyl (NE)-N-[Amino(Pyrazol-1-yl)Methyliden]Carbamat
PubChem CID	9605068
CAS	152120-61-1
MDL-Nummer	MFCD00216663
Molekulargewicht (g/mol)	210.237
SMILES	CC(C)(C)OC(=O)N=C(N)N1C=CC=N1
Synonym	n-boc-1-guanylpyrazole,n-boc-1h-pyrazole-1-carboxamidine,n-boc-pyrazole-1-carboxamidine,n-tert-butoxycarbonyl-1h-pyrazole-1-carboxamidine,tert-butyl 1e-amino 1h-pyrazol-1-yl methylene carbamate,n-tert-butoxycarbonyl-1 h-pyrazole-1-carboxamidine,h-pyrazole-1-carboxamidine hcl,1h-pyrazole-n-t-butyloxycarbonyl-1-carboxamidine,tert-butoxy-n-iminopyrazolylmethyl carboxamide,tert-butyl imino 1h-pyrazol-1-yl methylcarbamate
Summenformel	C9H14N4O2

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

CAS: 26621-44-3 Summenformel: C3H3N3O2 Molekulargewicht (g/mol): 113.08 MDL-Nummer: MFCD00159621,MFCD00238787 InChI-Schlüssel: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC-Name: 5-Nitro-1-H-Pyrazol SMILES: [O-][N+](=O)C1=CC=NN1

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InChI-Schlüssel	MZRUFMBFIKGOAL-UHFFFAOYSA-N
IUPAC-Name	5-Nitro-1-H-Pyrazol
PubChem CID	123419
CAS	26621-44-3
MDL-Nummer	MFCD00159621,MFCD00238787
Molekulargewicht (g/mol)	113.08
SMILES	[O-][N+](=O)C1=CC=NN1
Synonym	3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole
Summenformel	C3H3N3O2

3-Aminopyrazol, 98 %, Thermo Scientific Chemicals

CAS: 1820-80-0 Summenformel: C₃H₅N₃ Molekulargewicht (g/mol): 83.09 MDL-Nummer: MFCD00005236 InChI-Schlüssel: JVVRJMXHNUAPHW-UHFFFAOYSA-N Synonym: 3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine PubChem CID: 74561 IUPAC-Name: 1H-Pyrazol-5-Amin SMILES: C1=C(NN=C1)N

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InChI-Schlüssel	JVVRJMXHNUAPHW-UHFFFAOYSA-N
IUPAC-Name	1H-Pyrazol-5-Amin
PubChem CID	74561
CAS	1820-80-0
MDL-Nummer	MFCD00005236
Molekulargewicht (g/mol)	83.09
SMILES	C1=C(NN=C1)N
Synonym	3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine
Summenformel	C₃H₅N₃

N,N'-Di-BOC-1H-Pyrazol-1-Carboxamidin, 98%

CAS: 152120-54-2 Summenformel: C₁₄H₂₂N₄O₄ Molekulargewicht (g/mol): 310.35 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
Molekulargewicht (g/mol)	310.35
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

3-(Chlormethyl)-5-(2-furyl)-1-methyl-1H-pyrazol, 95 %, Thermo Scientific™

CAS: 876316-48-2 Summenformel: C9H9ClN2O Molekulargewicht (g/mol): 196.63 MDL-Nummer: MFCD08690269 InChI-Schlüssel: DZUIHVJDKDNADW-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-2-furyl-1-methyl-1h-pyrazole,3-chloromethyl-5-furan-2-yl-1-methylpyrazole,1h-pyrazole,3-chloromethyl-5-2-furanyl-1-methyl,3-chloromethyl-5-furan-2-yl-1-methyl-1h-pyrazole,2-3-chloromethyl-1-methylpyrazol-5-yl furan PubChem CID: 18525803 IUPAC-Name: 3-(Chlormethyl)-5-(Furan-2-yl)-1-Methylpyrazol SMILES: CN1N=C(CCl)C=C1C1=CC=CO1

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InChI-Schlüssel	DZUIHVJDKDNADW-UHFFFAOYSA-N
IUPAC-Name	3-(Chlormethyl)-5-(Furan-2-yl)-1-Methylpyrazol
PubChem CID	18525803
CAS	876316-48-2
MDL-Nummer	MFCD08690269
Molekulargewicht (g/mol)	196.63
SMILES	CN1N=C(CCl)C=C1C1=CC=CO1
Synonym	3-chloromethyl-5-2-furyl-1-methyl-1h-pyrazole,3-chloromethyl-5-furan-2-yl-1-methylpyrazole,1h-pyrazole,3-chloromethyl-5-2-furanyl-1-methyl,3-chloromethyl-5-furan-2-yl-1-methyl-1h-pyrazole,2-3-chloromethyl-1-methylpyrazol-5-yl furan
Summenformel	C9H9ClN2O

1H-Indazol-6-carboxaldehyd, 97 %, Thermo Scientific Chemicals

CAS: 669050-69-5 Summenformel: C₈H₆N₂O Molekulargewicht (g/mol): 146.15 InChI-Schlüssel: JTWYTTXTJFDYAG-UHFFFAOYSA-N Synonym: 1h-indazole-6-carboxaldehyde,6-formylindazole,6-formyl-1h-indazole,2h-indazole-6-carbaldehyde,indazole-6-carboxaldehyde,1h-indazole-6-cabaldehyde,pubchem23878,acmc-1bc45,2h-indazole-6-carboxaldehyde,1-h-indazole-6-carboxaldehyde PubChem CID: 18538368 IUPAC-Name: 1H-Indazol-6-Carbaldehyd SMILES: C1=CC2=C(C=C1C=O)NN=C2

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InChI-Schlüssel	JTWYTTXTJFDYAG-UHFFFAOYSA-N
IUPAC-Name	1H-Indazol-6-Carbaldehyd
PubChem CID	18538368
CAS	669050-69-5
Molekulargewicht (g/mol)	146.15
SMILES	C1=CC2=C(C=C1C=O)NN=C2
Synonym	1h-indazole-6-carboxaldehyde,6-formylindazole,6-formyl-1h-indazole,2h-indazole-6-carbaldehyde,indazole-6-carboxaldehyde,1h-indazole-6-cabaldehyde,pubchem23878,acmc-1bc45,2h-indazole-6-carboxaldehyde,1-h-indazole-6-carboxaldehyde
Summenformel	C₈H₆N₂O

Pyrazole

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