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

Systemtic Name: [(5S)-3-cyclopropyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone Openeye Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone CAS Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone IUPAC Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone Traditional Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-phenyl-methanone Formula: C14H13F3N2O2 MolecularWeight: 298.26043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC1C2=NN([C@](C2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H13F3N2O2/c15-14(16,17)13(21)8-11(9-6-7-9)18-19(13)12(20)10-4-2-1-3-5-10/h1-5,9,21H,6-8H2/t13-/m0/s1