4-butyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-butyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one Openeye Name: 4-butyl-5-methyl-2-(2-pyridyl)-1H-pyrazol-3-one CAS Name: 4-butyl-5-methyl-2-(2-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 4-butyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one Traditional Name: 4-butyl-5-methyl-2-(2-pyridyl)-3-pyrazolin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=CC=CC=N2)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=CC=CC=N2)C

InChI

InChI=1S/C13H17N3O/c1-3-4-7-11-10(2)15-16(13(11)17)12-8-5-6-9-14-12/h5-6,8-9,15H,3-4,7H2,1-2H3