AG002ARY

19735-89-8 | 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-

AG002ARY

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CAS Number	19735-89-8
Catalog Number	AG002ARY(AGN-PC-03EAVV)
Chemical Name	3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-
IUPAC Name	5-methyl-2-phenyl-1H-pyrazol-3-one
InChI	InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3
InChI Key	KZQYIMCESJLPQH-UHFFFAOYSA-N
MDL Number	MFCD00127930
Molecular Formula	C10H10N2O
Molecular Weight	174.1992
SMILES	CC1=CC(N(N1)C1=CC=CC=C1)=O
UNII	S798V6YJRP
Synonyms	N-demethylantipyrine, N-demethylantipyrine, 14C-labeled, 19735-89-8, 3-Methyl-1-phenyl-1H-pyrazol-5-ol, 5-METHYL-2-PHENYL-1,2-DIHYDROPYRAZOL-3-ONE, 942-32-5, 5-methyl-2-phenyl-1H-pyrazol-3(2H)-one, N-Demethylantipyrine, 5-Methyl-2-phenyl-2H-pyrazol-3-ol, 5-hydroxy-3-methyl-1-phenylpyrazole, 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-, 5-methyl-2-phenyl-1H-pyrazol-3-one, Demethylated antipyrine, 1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one, 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, 3-Methyl-1-phenylpyrazolin-5-one, 5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 3H-Pyrazol-3-one,1,2-dihydro-5-methyl-2-phenyl-, 5-methyl-2-phenyl-1,2- dihydro-3H-pyrazol-3-one (3), edarabone, EINECS 213-390-4, EINECS 243-261-8, ACMC-1BKDP, AC1Q6IJW, 1-Phenyl-3-methyl-1H-pyrazole-5(2H)-one, AC1L2DV1, Cambridge id 5118906, cid_4021, SCHEMBL34121, SCHEMBL200831, 3-methyl-1-phenylpyrazol-5-ol, 5-Methyl-2-phenylpyrazol-3-one, BDBM38550, CTK4E2177, CTK6C4655, 1-Phenyl-3-methyl-5-oxopyrazole, KZQYIMCESJLPQH-UHFFFAOYSA-N, PLVBQEFRONZLHO-UHFFFAOYSA-N, 1-Phenyl-3-methyl-5-pyrazolinone, 1-phenyl-3-methyl-pyrazol-5-one, 1-phenyl-3-methylpyrazolin-5-one, HMS1577A16, 3-methyl-1-phenyl-pyrazole-5-one, KS-000019IV, 1-phenyl-3-methyl-5-hydroxypyrazole, 6087AC, ANW-39236, ANW-57687, MFCD00127930, MFCD00462237, SBB021982, STK062417, STK398253, 2-phenyl-5-methyl-3H-pyrazol-3-one, 3-Methyl-1-phenyl-1H-pyrazol-5-one, 5-methyl-2-phenyl-2-pyrazolin-3-one, AKOS000309891, AKOS000313062, ZINC100006441, ZINC100026603, AS06532, CM10395, MCULE-4675811459, RP23639, AJ-70468, BR-30528, DA-00580, EN000402, 5-Methyl-2-phenyl-2H-pyrazol-3(4H)-one, AX8158163, DB-014594, ST2412093, TC-146432, TR-009152, FT-0649724, FT-0701986, W4183, 3-Methyl-5-oxo-1-phenyl-2-pyrazoline-4-ide, 3-Methyl-1-phenyl-4,5-dihydropyrazole-5-one, 5-Methyl-2-phenyl-1,2-dihydro-pyrazol-3-one, S-4604, 1-Phenyl-3-methyl-1H-4,5-dihydropyrazol-5-one, 735M898, I01-9611, 3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-METHYL-2-PHENYL, 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-4-carboxylicacid, edaravone, Norantipyrine, Norphenazone, Not Available, 1-Phenyl-3-methyl-5-pyrazolone, Methylphenylpyrazolone, 3-Methyl-1-phenyl-5-pyrazolone, 1-Phenyl-3-methylpyrazolone, UNII-S798V6YJRP, NSC12, S798V6YJRP, C10H10N2O, MLS000069602, 3-Methyl-1-phenylpyrazol-5-one, CID70335, AR-1C5262, C10-H10-N2-O, 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE, 3-Methyl-1-phenylpyrazol-5(4H)-one, 5-methyl-2-phenyl-4H-pyrazol-3-one, 1-Phenyl-3-methyl-2-pyrazolin-5-one, 3-Methyl-1-phenyl-2-pyrazoline-5-one, SMR000059020, 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one, 3-Methyl-1-phenyl-4,5-dihydropyrazol-5-one, 89-25-8, 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one, 99777-22-7,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.203g/mol
Monoisotopic Mass	174.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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