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

Systemtic Name: [(5S)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-(4-pyridyl)methanone CAS Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone IUPAC Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [(5S)-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl]-(4-pyridyl)methanone Formula: C11H13N3O2 MolecularWeight: 219.23982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)C2=CC=NC=C2

Isomeric SMILES

CC1=NN([C@@](C1)(C)O)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C11H13N3O2/c1-8-7-11(2,16)14(13-8)10(15)9-3-5-12-6-4-9/h3-6,16H,7H2,1-2H3/t11-/m0/s1