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

Systemtic Name: cyclopropyl-[(5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: cyclopropyl-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: cyclopropyl-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: cyclopropyl-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: cyclopropyl-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C14H21F3N2O2 MolecularWeight: 306.32395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2CC2

Isomeric SMILES

CCCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2CC2

InChI

InChI=1S/C14H21F3N2O2/c1-2-3-4-5-6-11-9-13(21,14(15,16)17)19(18-11)12(20)10-7-8-10/h10,21H,2-9H2,1H3/t13-/m0/s1