5-azanyl-2-[(4-propan-2-ylphenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(4-propan-2-ylphenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-isopropylphenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-propan-2-ylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-propan-2-ylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-isopropylbenzyl)-3-pyrazolin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c1-9(2)11-5-3-10(4-6-11)8-16-13(17)7-12(14)15-16/h3-7,9,15H,8,14H2,1-2H3