5-azanyl-2-(4-tert-butylphenyl)-4H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-(4-tert-butylphenyl)-4H-pyrazol-3-one Openeye Name: 5-amino-2-(4-tert-butylphenyl)-4H-pyrazol-3-one CAS Name: 5-amino-2-(4-tert-butylphenyl)-4H-pyrazol-3-one IUPAC Name: 5-amino-2-(4-tert-butylphenyl)-4H-pyrazol-3-one Traditional Name: 5-amino-2-(4-tert-butylphenyl)-2-pyrazolin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)CC(=N2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)CC(=N2)N

InChI

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