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

Systemtic Name: 5-azanyl-4-methyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-4-methyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one CAS Name: 5-amino-4-methyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-4-methyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-4-methyl-2-[4-methyl-3-(trifluoromethyl)benzyl]-3-pyrazolin-3-one Formula: C13H14F3N3O MolecularWeight: 285.26497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3N3O/c1-7-3-4-9(5-10(7)13(14,15)16)6-19-12(20)8(2)11(17)18-19/h3-5,18H,6,17H2,1-2H3