By utilizing ultrasonic assisted synthetic method, (E)-3-(4-nitrophenyl)-1-(m-tolyl)prop-2-en-1-one (1) was synthesised using respective ketones and aldehydes. From the compound (1), a pyrazoline derivative (2) was prepared by cyclization reaction using the same ultrasonic method. These compounds 1 and 2 were characterised by spectral data. Further the DFT analysis were calculated by 6-31G (d ,p)/B3LYP method. From these calculations, the optimized geometries, parameters, vibrational analysis, molecular orbital studies, MEP analysis, dipole moments and Mulliken atomic charges were calculated and compared with literature data. In addition to these studies, the antimicrobial activities of compounds 1 and 2 were screed against different bacterial species and fungal species. Also, the anti-inflammatory activities were performed for such present compounds.