2-(2,5-dimethylphenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: 2-(2,5-dimethylphenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: 2-(2,5-dimethylphenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: 2-(2,5-dimethylphenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: 2-(2,5-dimethylphenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: 2-(2,5-dimethylphenyl)-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)C)N2C(=O)CC(=N2)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O/c1-7-3-4-8(2)9(5-7)17-11(18)6-10(16-17)12(13,14)15/h3-5H,6H2,1-2H3