2-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: 2-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: 2-(p-tolylmethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: 2-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: 2-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: 2-(4-methylbenzyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C12H11F3N2O MolecularWeight: 256.22375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CC(=N2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CC(=N2)C(F)(F)F

InChI

InChI=1S/C12H11F3N2O/c1-8-2-4-9(5-3-8)7-17-11(18)6-10(16-17)12(13,14)15/h2-5H,6-7H2,1H3