5-azanyl-2-[(3,5-dimethylphenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(3,5-dimethylphenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(3,5-dimethylphenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(3,5-dimethylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(3,5-dimethylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(3,5-dimethylbenzyl)-3-pyrazolin-3-one Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(=O)C=C(N2)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C(=O)C=C(N2)N)C

InChI

InChI=1S/C12H15N3O/c1-8-3-9(2)5-10(4-8)7-15-12(16)6-11(13)14-15/h3-6,14H,7,13H2,1-2H3