The inhibitory impact of pyrazolin derivative (Pz) on corrosion of carbon steel in 1 M HCl was examined by potentiodynamic polarization method and electrochemical impedance spectroscopy (EIS). The hindrance effectiveness of Pz on corrosion of carbon steel in 1 M HCl arrangement increments on expanding in convergence of the P2. Potentiodynamic Polarization estimation demonstrates that Pz goes about as a blended mixed inhibitor. The idea of adsorption of the Pz on carbon steel surface is found to comply Langmuir adsorption isotherm. EIS estimation result is likewise associated with the consequence of polarization. DFT ponder affirmed the adsorption of inhibitor particles on mellow steel surface. The surface morphology of the mild steel surface was examined using ScanningElectron. Density Functional Theory calculations and molecular dynamic simulations were used to give basic insights into the action mode of inhibitors as well as to substantiate the experimental results.