Pyrazoles

Organic heterocyclic compounds that consists of a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms with the formula: C₃H₃N₂H.

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Allopurinol, USP, 98-102%, Spectrum™ Chemical

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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CAS	315-30-0
Molecular Weight (g/mol)	136.11
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
IUPAC Name	1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

(1,3-Dimethyl-1H-pyrazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 57012-20-1 Molecular Formula: C6H10N2O Molecular Weight (g/mol): 126.159 MDL Number: MFCD02682037 InChI Key: GUJDKMVLHCJODO-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazol-5-yl methanol,1,3-dimethyl-1h-pyrazole-5-yl methanol,1h-pyrazole-5-methanol, 1,3-dimethyl,2,5-dimethylpyrazol-3-yl methanol,2,5-dimethyl-2h-pyrazol-3-yl-methanol,1h-pyrazole-5-methanol,1,3-dimethyl,1,3-dimethylpyrazol-5-yl methan-1-ol,pubchem23626,2,5-dimethyl-3-pyrazolyl methanol,2,5-dimethyl-2h-pyrazole-3-yl methanol PubChem CID: 2776363 IUPAC Name: (2,5-dimethylpyrazol-3-yl)methanol SMILES: CC1=NN(C(=C1)CO)C

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PubChem CID	2776363
CAS	57012-20-1
Molecular Weight (g/mol)	126.159
MDL Number	MFCD02682037
SMILES	CC1=NN(C(=C1)CO)C
Synonym	1,3-dimethyl-1h-pyrazol-5-yl methanol,1,3-dimethyl-1h-pyrazole-5-yl methanol,1h-pyrazole-5-methanol, 1,3-dimethyl,2,5-dimethylpyrazol-3-yl methanol,2,5-dimethyl-2h-pyrazol-3-yl-methanol,1h-pyrazole-5-methanol,1,3-dimethyl,1,3-dimethylpyrazol-5-yl methan-1-ol,pubchem23626,2,5-dimethyl-3-pyrazolyl methanol,2,5-dimethyl-2h-pyrazole-3-yl methanol
IUPAC Name	(2,5-dimethylpyrazol-3-yl)methanol
InChI Key	GUJDKMVLHCJODO-UHFFFAOYSA-N
Molecular Formula	C6H10N2O

Thermo Scientific Chemicals Allopurinol, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: 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-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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

Allopurinol, 99.78%, MP Biomedicals™

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: 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: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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

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

CAS: 876316-48-2 Molecular Formula: C9H9ClN2O Molecular Weight (g/mol): 196.63 MDL Number: MFCD08690269 InChI Key: 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-(chloromethyl)-5-(furan-2-yl)-1-methylpyrazole SMILES: CN1N=C(CCl)C=C1C1=CC=CO1

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PubChem CID	18525803
CAS	876316-48-2
Molecular Weight (g/mol)	196.63
MDL Number	MFCD08690269
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
IUPAC Name	3-(chloromethyl)-5-(furan-2-yl)-1-methylpyrazole
InChI Key	DZUIHVJDKDNADW-UHFFFAOYSA-N
Molecular Formula	C9H9ClN2O

4-(1H-Pyrazol-1-ylmethyl)aniline, 95%, Thermo Scientific™

CAS: 142335-61-3 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.22 MDL Number: MFCD03422514 InChI Key: ISRYTHBRUSOVAB-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl aniline,4-1h-pyrazol-1-yl methyl aniline,4-pyrazol-1-ylmethyl aniline,4-1-pyrazolyl methyl aniline,4-pyrazol-1-ylmethyl-phenylamine,4-pyrazol-1-ylmethylphenylamine,benzenamine,4-1h-pyrazol-1-ylmethyl,4-pyrazolylmethyl phenylamine,pyrazolylmethylaniline PubChem CID: 2764412 IUPAC Name: 4-(pyrazol-1-ylmethyl)aniline SMILES: NC1=CC=C(CN2C=CC=N2)C=C1

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PubChem CID	2764412
CAS	142335-61-3
Molecular Weight (g/mol)	173.22
MDL Number	MFCD03422514
SMILES	NC1=CC=C(CN2C=CC=N2)C=C1
Synonym	4-1h-pyrazol-1-ylmethyl aniline,4-1h-pyrazol-1-yl methyl aniline,4-pyrazol-1-ylmethyl aniline,4-1-pyrazolyl methyl aniline,4-pyrazol-1-ylmethyl-phenylamine,4-pyrazol-1-ylmethylphenylamine,benzenamine,4-1h-pyrazol-1-ylmethyl,4-pyrazolylmethyl phenylamine,pyrazolylmethylaniline
IUPAC Name	4-(pyrazol-1-ylmethyl)aniline
InChI Key	ISRYTHBRUSOVAB-UHFFFAOYSA-N
Molecular Formula	C10H11N3

5-BOC-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine, 97%, Thermo Scientific™

CAS: 230301-11-8 Molecular Formula: C₁₁H₁₇N₃O₂ Molecular Weight (g/mol): 223.27 InChI Key: BHYPERDTLBCHAE-UHFFFAOYSA-N Synonym: tert-butyl 6,7-dihydro-1h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-1,4,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 6,7-dihydro-2h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-4,5,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 2h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo-4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo 4,3-c pyridine-5-carboxylate,t-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate PubChem CID: 10398680 IUPAC Name: tert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=NN2

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PubChem CID	10398680
CAS	230301-11-8
Molecular Weight (g/mol)	223.27
SMILES	CC(C)(C)OC(=O)N1CCC2=C(C1)C=NN2
Synonym	tert-butyl 6,7-dihydro-1h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-1,4,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 6,7-dihydro-2h-pyrazolo 4,3-c pyridine-5 4h-carboxylate,5-boc-4,5,6,7-tetrahydropyrazolo 4,3-c pyridine,tert-butyl 2h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,5h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo-4,3-c pyridine-5-carboxylate,tert-butyl 2,4,6,7-tetrahydro-5h-pyrazolo 4,3-c pyridine-5-carboxylate,t-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate,tert-butyl 1h,4h,6h,7h-pyrazolo 4,3-c pyridine-5-carboxylate
IUPAC Name	tert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
InChI Key	BHYPERDTLBCHAE-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₇N₃O₂

Tetrakis(1-pyrazolyl)borate, potassium salt, 95%

CAS: 14782-58-2 Molecular Formula: C₁₂H₁₂BKN₈ Molecular Weight (g/mol): 318.2 MDL Number: MFCD00800557 InChI Key: RKBGLZQVHBLUBM-UHFFFAOYSA-N Synonym: tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide PubChem CID: 92043288 IUPAC Name: potassium;tetra(pyrazol-1-yloxy)boranuide SMILES: [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]

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PubChem CID	92043288
CAS	14782-58-2
Molecular Weight (g/mol)	318.2
MDL Number	MFCD00800557
SMILES	[B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]
Synonym	tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide
IUPAC Name	potassium;tetra(pyrazol-1-yloxy)boranuide
InChI Key	RKBGLZQVHBLUBM-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₂BKN₈

Pyrazole, 98%, pure

CAS: 288-13-1 Molecular Formula: C₃H₄N₂ Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

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PubChem CID	1048
CAS	288-13-1
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:17241
MDL Number	MFCD00005234
SMILES	C1=CNN=C1
Synonym	pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1
IUPAC Name	1H-pyrazole
InChI Key	WTKZEGDFNFYCGP-UHFFFAOYSA-N
Molecular Formula	C₃H₄N₂

3,5-Dichloro-1H-indazole, 95%, Thermo Scientific Chemicals

CAS: 36760-20-0 Molecular Formula: C7H4Cl2N2 Molecular Weight (g/mol): 187.023 MDL Number: MFCD09263200 InChI Key: QQZISIWJMCCCNH-UHFFFAOYSA-N Synonym: 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole PubChem CID: 268460 IUPAC Name: 3,5-dichloro-2H-indazole SMILES: C1=CC2=NNC(=C2C=C1Cl)Cl

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PubChem CID	268460
CAS	36760-20-0
Molecular Weight (g/mol)	187.023
MDL Number	MFCD09263200
SMILES	C1=CC2=NNC(=C2C=C1Cl)Cl
Synonym	3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole
IUPAC Name	3,5-dichloro-2H-indazole
InChI Key	QQZISIWJMCCCNH-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2N2

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

CAS: 3524-32-1 Molecular Formula: C5H9N3 Molecular Weight (g/mol): 111.148 MDL Number: MFCD00051651 InChI Key: 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-amine SMILES: CC1=NN(C(=C1)N)C

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PubChem CID	520721
CAS	3524-32-1
Molecular Weight (g/mol)	111.148
MDL Number	MFCD00051651
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
IUPAC Name	2,5-dimethylpyrazol-3-amine
InChI Key	ZFDGMMZLXSFNFU-UHFFFAOYSA-N
Molecular Formula	C5H9N3

1-Methyl-1H-indazole-4-carboxaldehyde, 95%

CAS: 1053655-56-3 Molecular Formula: C₉H₈N₂O Molecular Weight (g/mol): 160.18 MDL Number: MFCD10699167 InChI Key: SONWSIAHVBTXPB-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde PubChem CID: 37818471 IUPAC Name: 1-methylindazole-4-carbaldehyde SMILES: CN1C2=CC=CC(=C2C=N1)C=O

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PubChem CID	37818471
CAS	1053655-56-3
Molecular Weight (g/mol)	160.18
MDL Number	MFCD10699167
SMILES	CN1C2=CC=CC(=C2C=N1)C=O
Synonym	1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde
IUPAC Name	1-methylindazole-4-carbaldehyde
InChI Key	SONWSIAHVBTXPB-UHFFFAOYSA-N
Molecular Formula	C₉H₈N₂O

1H-Pyrazole-3-boronic acid hydrate, 95%

CAS: 376584-63-3 Molecular Formula: C3H5BN2O2 Molecular Weight (g/mol): 111.90 MDL Number: MFCD07368247 MFCD02020768 InChI Key: NEUWPDLMDVINSN-UHFFFAOYSA-N Synonym: 1h-pyrazol-3-yl boronic acid,pyrazole-3-boronic acid,1h-pyrazol-3-ylboronic acid,1h-pyrazole-3-boronic acid,1h-pyrazole-5-boronic acid,1h-pyrazol-5-yl boronic acid,1h-pyrazol-5-yl-5-boronic acid,pyrazol-3-ylboronic acid,2h-pyrazol-3-ylboronic acid PubChem CID: 11251979 IUPAC Name: 1H-pyrazol-5-ylboronic acid SMILES: OB(O)C1=NNC=C1

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PubChem CID	11251979
CAS	376584-63-3
Molecular Weight (g/mol)	111.90
MDL Number	MFCD07368247 MFCD02020768
SMILES	OB(O)C1=NNC=C1
Synonym	1h-pyrazol-3-yl boronic acid,pyrazole-3-boronic acid,1h-pyrazol-3-ylboronic acid,1h-pyrazole-3-boronic acid,1h-pyrazole-5-boronic acid,1h-pyrazol-5-yl boronic acid,1h-pyrazol-5-yl-5-boronic acid,pyrazol-3-ylboronic acid,2h-pyrazol-3-ylboronic acid
IUPAC Name	1H-pyrazol-5-ylboronic acid
InChI Key	NEUWPDLMDVINSN-UHFFFAOYSA-N
Molecular Formula	C3H5BN2O2

3-Amino-5-hydroxy-1H-pyrazole, 98%

CAS: 6126-22-3 Molecular Formula: C3H5N3O Molecular Weight (g/mol): 99.093 MDL Number: MFCD00022384 InChI Key: QZBGOTVBHYKUDS-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino PubChem CID: 96221 IUPAC Name: 5-amino-1,2-dihydropyrazol-3-one SMILES: C1=C(NNC1=O)N

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Specifications

PubChem CID	96221
CAS	6126-22-3
Molecular Weight (g/mol)	99.093
MDL Number	MFCD00022384
SMILES	C1=C(NNC1=O)N
Synonym	3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino
IUPAC Name	5-amino-1,2-dihydropyrazol-3-one
InChI Key	QZBGOTVBHYKUDS-UHFFFAOYSA-N
Molecular Formula	C3H5N3O

3-Indazolinone, 97%

CAS: 7364-25-2 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.138 MDL Number: MFCD00005685 InChI Key: SWEICGMKXPNXNU-UHFFFAOYSA-N Synonym: 1h-indazol-3-ol,3-indazolinone,indazolinone,1h-indazol-3 2h-one,3-hydroxy-1h-indazole,3-hydroxyindazole,1,2-dihydro-3h-indazol-3-one,3-oxo-1,2-indazole,3h-indazol-3-one, 1,2-dihydro,2h-indazol-3-ol PubChem CID: 81829 IUPAC Name: 1,2-dihydroindazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NN2

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Specifications

PubChem CID	81829
CAS	7364-25-2
Molecular Weight (g/mol)	134.138
MDL Number	MFCD00005685
SMILES	C1=CC=C2C(=C1)C(=O)NN2
Synonym	1h-indazol-3-ol,3-indazolinone,indazolinone,1h-indazol-3 2h-one,3-hydroxy-1h-indazole,3-hydroxyindazole,1,2-dihydro-3h-indazol-3-one,3-oxo-1,2-indazole,3h-indazol-3-one, 1,2-dihydro,2h-indazol-3-ol
IUPAC Name	1,2-dihydroindazol-3-one
InChI Key	SWEICGMKXPNXNU-UHFFFAOYSA-N
Molecular Formula	C7H6N2O

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Allopurinol, USP, 98-102%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Allopurinol, USP, 98-102%, Spectrum™ Chemical