[(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-pyridin-4-yl-methanone

Systemtic Name: [(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-pyridin-4-yl-methanone Openeye Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-pyridyl)methanone CAS Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-pyridin-4-ylmethanone IUPAC Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-pyridin-4-ylmethanone Traditional Name: [(5R)-3-butyl-5-hydroxy-5-(trifluoromethyl)-3-pyrazolin-1-yl]-(4-pyridyl)methanone Formula: C14H16F3N3O2 MolecularWeight: 315.29095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(N(N1)C(=O)C2=CC=NC=C2)(C(F)(F)F)O

Isomeric SMILES

CCCCC1=C[C@](N(N1)C(=O)C2=CC=NC=C2)(C(F)(F)F)O

InChI

InChI=1S/C14H16F3N3O2/c1-2-3-4-11-9-13(22,14(15,16)17)20(19-11)12(21)10-5-7-18-8-6-10/h5-9,19,22H,2-4H2,1H3/t13-/m1/s1