4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one

Systemtic Name: 4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one Openeye Name: 4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one CAS Name: 4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one IUPAC Name: 4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one Traditional Name: 4,5-dimethyl-2-[4-(trifluoromethyl)benzyl]-3-pyrazolin-3-one Formula: C13H13F3N2O MolecularWeight: 270.25033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C13H13F3N2O/c1-8-9(2)17-18(12(8)19)7-10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,7H2,1-2H3