5-propyl-2-[5-(trifluoromethyl)pyridin-2-yl]-4H-pyrazol-3-one

Systemtic Name: 5-propyl-2-[5-(trifluoromethyl)pyridin-2-yl]-4H-pyrazol-3-one Openeye Name: 5-propyl-2-[5-(trifluoromethyl)-2-pyridyl]-4H-pyrazol-3-one CAS Name: 5-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one IUPAC Name: 5-propyl-2-[5-(trifluoromethyl)pyridin-2-yl]-4H-pyrazol-3-one Traditional Name: 5-propyl-2-[5-(trifluoromethyl)-2-pyridyl]-2-pyrazolin-3-one Formula: C12H12F3N3O MolecularWeight: 271.23839

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3N3O/c1-2-3-9-6-11(19)18(17-9)10-5-4-8(7-16-10)12(13,14)15/h4-5,7H,2-3,6H2,1H3