[(5S)-3-(2-methoxyethyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [(5S)-3-(2-methoxyethyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [(5S)-5-hydroxy-3-(2-methoxyethyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-pyridyl)methanone CAS Name: [(5S)-5-hydroxy-3-(2-methoxyethyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone IUPAC Name: [(5S)-5-hydroxy-3-(2-methoxyethyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [(5S)-5-hydroxy-3-(2-methoxyethyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-pyridyl)methanone Formula: C13H14F3N3O3 MolecularWeight: 317.26377

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=NC=C2

Isomeric SMILES

COCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H14F3N3O3/c1-22-7-4-10-8-12(21,13(14,15)16)19(18-10)11(20)9-2-5-17-6-3-9/h2-3,5-6,21H,4,7-8H2,1H3/t12-/m0/s1