2-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-(p-tolyl)-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-(p-tolyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C11H9F3N2O MolecularWeight: 242.19717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C11H9F3N2O/c1-7-2-4-8(5-3-7)16-10(17)6-9(15-16)11(12,13)14/h2-6,15H,1H3