5-tert-butyl-2-pyridin-2-yl-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-pyridin-2-yl-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(2-pyridyl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(2-pyridinyl)-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-pyridin-2-yl-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(2-pyridyl)-2-pyrazolin-3-one Formula: C12H15N3O MolecularWeight: 217.267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1)C2=CC=CC=N2

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1)C2=CC=CC=N2

InChI

InChI=1S/C12H15N3O/c1-12(2,3)9-8-11(16)15(14-9)10-6-4-5-7-13-10/h4-7H,8H2,1-3H3