AG003JQA

3347-62-4 | 3-Methyl-5-Phenyl-1H-Pyrazole

AG003JQA

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CAS Number	3347-62-4
Catalog Number	AG003JQA(AGN-PC-0O917J)
Chemical Name	3-Methyl-5-Phenyl-1H-Pyrazole
EC Number	222-099-1
IUPAC Name	5-methyl-3-phenyl-1H-pyrazole
InChI	InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChI Key	QHRSESMSOJZMCO-UHFFFAOYSA-N
MDL Number	MFCD00022385
Molecular Formula	C10H10N2
Molecular Weight	158.1998
NSC Number	78454
SMILES	CC1=NNC(C2=CC=CC=C2)=C1
UNII	0XFX19D77A
Synonyms	3-Methyl-5-phenyl-1H-pyrazole, 3347-62-4, 5-methyl-3-phenyl-1H-pyrazole, Femerazol, 3-Methyl-5-phenylpyrazole, Phemerazole, 1H-Pyrazole, 3-methyl-5-phenyl-, 5-Methyl-3-phenylpyrazole, 1H-Pyrazole,3-methyl-5-phenyl-, PYRAZOLE, 3-METHYL-5-PHENYL-, UNII-0XFX19D77A, 1H-pyrazole, 5-methyl-3-phenyl-, EINECS 222-099-1, NSC 78454, BRN 0004208, 0XFX19D77A, Pyrazole, 3(or 5)-methyl-5(or 3)-phenyl-, QHRSESMSOJZMCO-UHFFFAOYSA-N, MFCD00022385, 56426-41-6, 4bdf, NSC78454, ACMC-20an0g, Enamine_001202, AC1L2CRO, 3-phenyl-5-methylpyrazole, AC1Q2Q2P, Cambridge id 5152650, WLN: T5MNJ C1 ER, 4-23-00-01261 (Beilstein Handbook Reference), MLS001004744, SCHEMBL427627, AC1Q2H94, 3-methyl-5-phenyl-2H-pyrazole, 3-Phenyl-5-methyl-1H-pyrazole, CHEMBL1411986, CTK1E1925, CTK3J6189, KS-00000NOB, DTXSID90187117, HMS1397G14, HMS1579I12, HMS2678O21, 3(5)-methyl-5(3)-phenylpyrazole, 3-Methyl-5-phenyl-1H-pyrazole #, ACT07988, ZINC3832560, BBL100176, MFCD00524752, NSC-78454, SBB057471, STK029816, AKOS001016705, AKOS001579572, 9M-508S, AB01314, MCULE-9562728778, Pyrazole, 3-methyl-5-phenyl- (8CI), RP10175, NCGC00246020-01, AK309806, MS-10996, SMR000348327, 1H-Pyrazole, 3-methyl-5-phenyl- (9CI), 3 - METHYL - 5 - PHENYLPYRAZOLE, AB0085084, DB-048418, LS-128538, EU-0067663, FT-0634791, ST50331334, A-8096, A-8740, SR-01000395604, SR-01000395604-1, I14-27658, H3R, InChI=1/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12, C10H10N2, CID18774, 3-methyl-5-phenyl-diisopropylpyrazole, C10-H10-N2,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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