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A series of pyrazole derivatives have been synthesized. The structures of novel compounds were characterized by 13CNMR, 1HNMR, IR and Mass. The purpose of this study was to investigate the antibacterial activity of newly developed pyrazole derivatives against two types of gram-positive bacteria and three types of gram-negative bacteria. The antibacterial activity of quantitatively prepared novel compounds is evaluated by the disc-diffusion method against Staphylococcus aureus (S.a), Bacillus subtilis (B.s), Escherichia coli (E.c), Klebsiella pneumoniae (K.p) and Proteus vulgaris (P.v). Most of the compounds showed crucial antibacterial behavior against gram-positive and gram-negative bacteria. Furthermore, molecular docking of compounds A2 and B2 compounds into the active binding site of crystal structure of Escherichia coli MurB enzyme (PDB Id: 1MBT). A key enzyme in the peptidoglycan biosynthesis was performed to gain a comprehensive understanding into plausible binding modes and docking interactions of the ligands. Docking results indicated that the compounds A2 and B2 have considerable binding energies towards the active site of Escherichia coli MurB. [ABSTRACT FROM AUTHOR]