AG000P2P

119022-51-4 | 3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-5-(trifluoromethyl)-

AG000P2P

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CAS Number	119022-51-4
Catalog Number	AG000P2P(AGN-PC-0KK0HM)
Chemical Name	3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-5-(trifluoromethyl)-
IUPAC Name	2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
InChI	InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h2H,1H3,(H,9,11)
InChI Key	QEHXHKNBIGEWIH-UHFFFAOYSA-N
MDL Number	MFCD00085094
Molecular Formula	C5H5F3N2O
Molecular Weight	166.1012
SMILES	O=C1NN(C)C(C(F)(F)F)=C1
Synonyms	119022-51-4, 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol, 3-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole, 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 1-Methyl-5-trifluoromethyl-1,2-dihydropyrazol-3-one, 1-methyl-5-(trifluoromethyl)pyrazol-3-ol, AK124099, 3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-5-(trifluoromethyl)-, 2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one, 3H-Pyrazol-3-one,1,2-dihydro-1-methyl-5-(trifluoromethyl)-, PubChem11389, AC1MC5YD, Maybridge1_001628, ACMC-1BX7W, SCHEMBL1241627, CTK4B1016, HMS546B22, DTXSID40369289, QEHXHKNBIGEWIH-UHFFFAOYSA-N, ALBB-027253, KS-00000MC2, ZINC1046981, MFCD00085094, SBB000154, STL388017, AKOS005070629, AKOS005254812, 5E-366S, FCH1410601, MCULE-6339507402, RP02450, RTR-003221, XF10076, AC-27627, AJ-24804, ZB015778, 1-methyl-5-(trifluoromethyl)-pyrazol-3-ol, 1-methyl-5-(trifluoromethyl)pyrazol-3-one, AB0039700, TR-003221, 1-methyl-3-hydroxy-5-trifluoromethylpyrazole, 1-methyl-5-(trifluoromethyl)-pyrazol-3-one, 1-methyl-5-trifluoromethyl-1H-pyrazol-3-ol, 3-Hydroxy-1-methyl-5-trifluoromethylpyrazole, 5-trifluoromethyl-3-hydroxy-1-methylpyrazole, FT-0615795, ST24038119, ST50307515, Y7203, C-1117, 1H-pyrazol-3-ol, 1-methyl-5-(trifluoromethyl)-, 3-hydroxy-1-methyl-5-trifluoromethyl-1H-pyrazole, 5-hydroxy-2-methyl-3-trifluoromethyl-1h-pyrazole, 5-(Trifluoromethyl)-3-hydroxy-1-methyl-1H-pyrazole, I11-0493, I11-0565, W-205031, 3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrazole, 97%, 5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-3-OL, 1-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, 1-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one, 1,2-DIHYDRO-1-METHYL-5-(TRIFLUOROMETHYL)-3H-PYRAZOL-3-ONE, C5H5F3N2O, ZINC01046981, CID2724914, A2472,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.103g/mol
Monoisotopic Mass	166.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

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