5-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-isobutyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-isobutyl-2-phenyl-2-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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