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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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