Three novel self-assembled Ph pyrazole cationic surfactant derivatives, coded as SA-6, SA-12, and SA-18, were synthesized, structure confirmed, and examined as eco-friendly corrosion inhibitors for Cu in 1 M HNO3 electrolyte using open circuit potential (OCP), potentiodynamic polarization (PDP), and electrochem. impedance spectroscopy (EIS) measurements.The efficacy of these surfactants was pointedly influenced by dosage (5 x 10-5 M - 1 x 10-3 M), attaining a maximum of 90.9 %, 92.9 %, and 94.5 % for SA-6, SA-12, and SA-18, resp., at 1 x 10-3 M.The fact that the highest shift in corrosion potential (Ecorr) is so minor suggests that the compounds under investigation are inhibitors of the mixed type (anodic/cathodic).The high value of Kads and the neg. ΔGoads value (-35.0, -35.8, and -36.8 kJ mol-1) suggests that the SA-6, SA-12, and SA-18 inhibitors have a strong and spontaneous tendency to adsorbed onto the Cu substrate.The development of the self-assembled surfactant defensive film on the Cu substrate was morphol. verified by at. force microscopy (AFM).The studied self-assembled surfactants adsorbed phys. and chem. according to Langmuir isotherm model.Quant. structure-activity relationship (QSAR) was used to construct the prediction model for SA-6, SA-12, and SA-18′s anti-corrosion properties, while d. functional theory (DFT) calculations were used to determine the chem. descriptors linked to the frontier MOs (FMOs).It was shown that the results of the computational and electrochem. experiments were highly consistent.