Synthesis, Characterization and Molecular Mechanics Potential Energy Evaluation of 4-amino-2, 3-dimethyl-1-phenyl-3-pyrazolin-5-one ligand and its transition metal complexes

• Published in: International journal of pharmaceutical dosage forms and technology Vol. 7; no. 2; pp. 129 - 133
• Main Authors: Otuokere, I.E, Alisa, C.O, Nwachukwu, P
• Format: Journal Article
• Language: English
• Published: Raipur A & V Publications 01.04.2015; A&V Publications
• Subjects: 4-amino-2, 3-dimethyl-1-phenyl-3-pyrazolin-5-one; complexes; energy; ligand; spectra
• DOI: 10.5958/0975-4377.2015.00019.1
• ISSN: 0975-234X

4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one is a metabolite of aminopyrine with analgesic, antiinflammatory, and antipyretic properties. Cd(II), Co(II), Cu(I), Ni(II), Pt(II) and Zn(II) complexes of 4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one have been synthesized. The ligand and complexes were characterized based on electronic, infrared, 1H NMR and 13C NMR spectroscopy. Spectroscopic investigation revealed that the ligand coordinated to the metal ions through the carbonyl and amino functional groups. 4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one behaved as a bidentate ligand. Five membered ring chelates complexes were formed. Molecular mechanics potential energy evaluation showed that the most feasible position for 4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one and its complexes to exhibit analgesic, anti-inflammatory and antipyretic activity was found to be in the range 56.75143626 -82.65547188 kcal/mol.