[(4S,5R)-3,5-dimethyl-5-oxidanyl-4-prop-2-enyl-4H-pyrazol-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [(4S,5R)-3,5-dimethyl-5-oxidanyl-4-prop-2-enyl-4H-pyrazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [(4S,5R)-4-allyl-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-(3-pyridyl)methanone CAS Name: [(4S,5R)-5-hydroxy-3,5-dimethyl-4-prop-2-enyl-4H-pyrazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [(4S,5R)-5-hydroxy-3,5-dimethyl-4-prop-2-enyl-4H-pyrazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [(4S,5R)-4-allyl-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1CC=C)(C)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=NN([C@]([C@H]1CC=C)(C)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H17N3O2/c1-4-6-12-10(2)16-17(14(12,3)19)13(18)11-7-5-8-15-9-11/h4-5,7-9,12,19H,1,6H2,2-3H3/t12-,14+/m0/s1