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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=NC=C2

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=NC=C2

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/h5-8,22H,2-4,9H2,1H3/t13-/m0/s1