2-[3,5-bis(trifluoromethyl)phenyl]-5-propan-2-yl-4H-pyrazol-3-one

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-propan-2-yl-4H-pyrazol-3-one Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-isopropyl-4H-pyrazol-3-one CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-propan-2-yl-4H-pyrazol-3-one IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-propan-2-yl-4H-pyrazol-3-one Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-isopropyl-2-pyrazolin-3-one Formula: C14H12F6N2O MolecularWeight: 338.248299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F6N2O/c1-7(2)11-6-12(23)22(21-11)10-4-8(13(15,16)17)3-9(5-10)14(18,19)20/h3-5,7H,6H2,1-2H3