AG001782

122431-37-2 | 1H-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-

AG001782

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CAS Number	122431-37-2
Catalog Number	AG001782(AGN-PC-0O0EHR)
Chemical Name	1H-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-
IUPAC Name	2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
InChI	InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2,9H,1H3
InChI Key	WQRHIGNAKDJJKN-UHFFFAOYSA-N
MDL Number	MFCD00139833
Molecular Formula	C5H5F3N2O
Molecular Weight	166.1012
SMILES	OC1=CC(C(F)(F)F)=NN1C
Synonyms	1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol, 122431-37-2, 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, 1H-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-, 5-HYDROXY-1-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE, 5-Hydroxy-1-methyl-3-(trifluoromethyl)pyrazole, 1-methyl-5-hydroxy-3-(trifluoromethyl)pyrazole, 2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one, 1-Methyl-3-trifluoromethyl-1H-pyrazol-5-ol, 2-Methyl-5-trifluoromethyl-2H-pyrazol-3-ol, 1H-Pyrazol-5-ol,1-methyl-3-(trifluoromethyl)-, 2-methyl-5-trifluoromethyl-1,2-dihydro-pyrazol-3-one, 356759-12-1, AC1LOELW, PubChem11386, 2-Methyl-3-hydroxy-5-trifluoromethylpyrazole, Bionet2_000182, AC1Q40BZ, methyltrifluoromethylpyrazolol, ACMC-1C28B, MLS000756059, SCHEMBL537472, SCHEMBL758498, PYR161, CHEMBL3145182, CTK4B3106, DTXSID40361268, UGVAQFVQIHNCJV-UHFFFAOYSA-N, WQRHIGNAKDJJKN-UHFFFAOYSA-N, HMS1364I06, HMS2605B15, ALBB-027254, KS-00001XC5, ZINC5603377, CCG-43989, MFCD00139833, STL388018, AKOS005070609, AKOS015898252, ZINC100008117, 5E-328S, QC-4752, RP10353, RTR-003594, SDCCGMLS-0065822.P001, 1-methyl-3-trifluoromethyl-5-pyrazolone, AC-27626, AJ-54389, SMR000337731, 1-methyl-3-(trifluoromethyl)pyrazol-5-ol, 2-methyl-5-(trifluoromethyl)pyrazol-3-ol, 1-methyl-3-(trifluoromethyl)pyrazol-5-one, 5-Hydroxy-1-methyl-3trifluoromethylpyrazole, AB0002062, DB-062056, TL8000597, TR-003594, 1-methyl-3-trifluoromethyl-5-hydroxypyrazole, 5-hydroxy-1-methyl-3-trifluoromethylpyrazole, FT-0608055, ST24038100, 2-Methyl-5-(trifluoromethyl)-2H-pyrazol-3-ol, 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-ol, 431M372, A804890, 5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole, I11-0526, J-504924, SR-01000633860-1, 5-Hydroxy-1-methyl-3-(trifluoromethyl)pyrazole, >=97%, ZINC01023255, ACN-029022, CID1238616, 1481-02-3, C-1151,

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	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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