2-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: 2-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: 2-isobutyl-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: 2-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: 2-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: 2-isobutyl-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C8H11F3N2O MolecularWeight: 208.18095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)CC(=N1)C(F)(F)F

Isomeric SMILES

CC(C)CN1C(=O)CC(=N1)C(F)(F)F

InChI

InChI=1S/C8H11F3N2O/c1-5(2)4-13-7(14)3-6(12-13)8(9,10)11/h5H,3-4H2,1-2H3