5-[4-(2-methylpropyl)phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-(2-methylpropyl)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-(4-isobutylphenyl)-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(2-methylpropyl)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(2-methylpropyl)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-(4-isobutylphenyl)-3-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

InChI=1S/C13H16N2O/c1-9(2)7-10-3-5-11(6-4-10)12-8-13(16)15-14-12/h3-6,8-9H,7H2,1-2H3,(H2,14,15,16)