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

Systemtic Name: [(5S)-3-cyclopropyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-pyridyl)methanone CAS Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone IUPAC Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-pyridyl)methanone Formula: C13H12F3N3O2 MolecularWeight: 299.24849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N3O2/c14-13(15,16)12(21)7-10(8-1-2-8)18-19(12)11(20)9-3-5-17-6-4-9/h3-6,8,21H,1-2,7H2/t12-/m0/s1