[(5S)-5-tert-butyl-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [(5S)-5-tert-butyl-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [(5S)-5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-pyridyl)methanone CAS Name: [(5S)-5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [(5S)-5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [(5S)-5-tert-butyl-3-ethyl-5-hydroxy-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCC1=NN([C@](C1)(C(C)(C)C)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H21N3O2/c1-5-12-9-15(20,14(2,3)4)18(17-12)13(19)11-7-6-8-16-10-11/h6-8,10,20H,5,9H2,1-4H3/t15-/m0/s1