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

Systemtic Name: 5-azanyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-isopropylphenyl)methyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-isopropylbenzyl)-4-methyl-3-pyrazolin-3-one Formula: C14H19N3O MolecularWeight: 245.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC=C(C=C2)C(C)C)N

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC=C(C=C2)C(C)C)N

InChI

InChI=1S/C14H19N3O/c1-9(2)12-6-4-11(5-7-12)8-17-14(18)10(3)13(15)16-17/h4-7,9,16H,8,15H2,1-3H3