5-propyl-4-pyridin-3-ylcarbonyl-2-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrazol-3-one

Systemtic Name: 5-propyl-4-pyridin-3-ylcarbonyl-2-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrazol-3-one Openeye Name: 5-propyl-4-(pyridine-3-carbonyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one CAS Name: 4-[oxo(3-pyridinyl)methyl]-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one IUPAC Name: 5-propyl-4-(pyridine-3-carbonyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one Traditional Name: 4-nicotinoyl-5-propyl-2-(2,2,2-trifluoroethyl)-3-pyrazolin-3-one Formula: C14H14F3N3O2 MolecularWeight: 313.27507

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)CC(F)(F)F)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCCC1=C(C(=O)N(N1)CC(F)(F)F)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H14F3N3O2/c1-2-4-10-11(12(21)9-5-3-6-18-7-9)13(22)20(19-10)8-14(15,16)17/h3,5-7,19H,2,4,8H2,1H3