4-azanyl-1,5-dimethyl-2-[(4-methylphenyl)methyl]pyrazol-3-one

Systemtic Name: 4-azanyl-1,5-dimethyl-2-[(4-methylphenyl)methyl]pyrazol-3-one Openeye Name: 4-amino-1,5-dimethyl-2-(p-tolylmethyl)pyrazol-3-one CAS Name: 4-amino-1,5-dimethyl-2-[(4-methylphenyl)methyl]-3-pyrazolone IUPAC Name: 4-amino-1,5-dimethyl-2-[(4-methylphenyl)methyl]pyrazol-3-one Traditional Name: 4-amino-1,5-dimethyl-2-(4-methylbenzyl)-3-pyrazolin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C(=C(N2C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C(=C(N2C)C)N

InChI

InChI=1S/C13H17N3O/c1-9-4-6-11(7-5-9)8-16-13(17)12(14)10(2)15(16)3/h4-7H,8,14H2,1-3H3