AG00140I

13788-84-6 | 1H-Pyrazole, 3-methyl-4-phenyl-

AG00140I

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CAS Number	13788-84-6
Catalog Number	AG00140I(AGN-PC-0O1FGA)
Chemical Name	1H-Pyrazole, 3-methyl-4-phenyl-
IUPAC Name	5-methyl-4-phenyl-1H-pyrazole
InChI	InChI=1S/C10H10N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChI Key	XTXZCNATVCIKTR-UHFFFAOYSA-N
MDL Number	MFCD00051752
Molecular Formula	C10H10N2
Molecular Weight	158.1998
SMILES	CC1=NNC=C1C1=CC=CC=C1
Synonyms	5-methyl-4-phenyl-1H-pyrazole, 3-Methyl-4-phenyl-1H-pyrazole, 13788-84-6, 3-Methyl-4-phenylpyrazole, 5-methyl-4-phenyl-1H-pyrazole, 3-Methyl-4-phenylpyrazol, CHEMBL228114, XTXZCNATVCIKTR-UHFFFAOYSA-N, MFCD00051752, 2uw3, ACMC-1BRBB, Maybridge1_003313, 5-methyl-4-phenylpyrazole, pyrazole-based inhibitor 1, AC1L3F7Y, SCHEMBL105178, 3-methyl-4-phenyl-1H-pyrazol, 4-Phenyl-5-methyl-1H-pyrazole, BDBM16211, CTK3J4384, HMS550O13, DTXSID90160349, 1H-Pyrazole,3-methyl-4-phenyl-, 1H-Pyrazole, 3-methyl-4-phenyl-, 3-Methyl-4-phenyl-1H-pyrazole #, ALBB-006850, KS-00000NO5, ZINC4692749, 6627AA, ANW-72592, SBB048410, STK504166, AKOS000265029, AKOS015899729, AS06545, CM10492, MCULE-1577784164, RP10179, 3-METHYL-4-PHENYL-2H-PYRAZOLE, AJ-51940, AK-33201, CD 09292, DB-063215, 3-Methyl-4-phenyl-1H-pyrazole, AldrichCPR, FT-0616095, ST50824692, Y-8098, 12T-0222, J-512860, J-640176, J-800178, I14-11494, 1706-47-4, 3-Methyl-4-phenyl pyrazole, 3-Fluorophenyl isothiocyanate, C10H10N2, (3-Methyl-1H-pyrazol-4-yl)benzene, CID139601, ZINC00141013, C10-H10-N2, A2971, GVG,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.204g/mol
Monoisotopic Mass	158.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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