2-[(4-methylphenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 2-[(4-methylphenyl)methyl]-1H-pyrazol-3-one Openeye Name: 2-(p-tolylmethyl)-1H-pyrazol-3-one CAS Name: 2-[(4-methylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 2-[(4-methylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 2-(4-methylbenzyl)-3-pyrazolin-3-one Formula: C11H12N2O MolecularWeight: 188.22578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C=CN2

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C=CN2

InChI

InChI=1S/C11H12N2O/c1-9-2-4-10(5-3-9)8-13-11(14)6-7-12-13/h2-7,12H,8H2,1H3