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

Systemtic Name: 5-tert-butyl-2-[5-(trifluoromethyl)pyridin-2-yl]-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-[5-(trifluoromethyl)-2-pyridyl]-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-[5-(trifluoromethyl)pyridin-2-yl]-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-[5-(trifluoromethyl)-2-pyridyl]-2-pyrazolin-3-one Formula: C13H14F3N3O MolecularWeight: 285.26497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3N3O/c1-12(2,3)9-6-11(20)19(18-9)10-5-4-8(7-17-10)13(14,15)16/h4-5,7H,6H2,1-3H3