4,4-dimethyl-2-phenyl-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 4,4-dimethyl-2-phenyl-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4,4-dimethyl-2-phenyl-5-(trifluoromethyl)pyrazol-3-one CAS Name: 4,4-dimethyl-2-phenyl-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 4,4-dimethyl-2-phenyl-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 4,4-dimethyl-2-phenyl-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C12H11F3N2O MolecularWeight: 256.22375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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