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

Systemtic Name: [(5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-pyridyl)methanone CAS Name: [(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C16H20F3N3O2 MolecularWeight: 343.34411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H20F3N3O2/c1-2-3-4-5-8-13-10-15(24,16(17,18)19)22(21-13)14(23)12-7-6-9-20-11-12/h6-7,9,11,24H,2-5,8,10H2,1H3/t15-/m0/s1