Furan-based 1H-pyrazole-3,5-diamine: regioselective synthesis of new mono- and bis(pyrazolo1,5-apyrimidines), DFT-based NMR prediction, antibacterial Screening, and SAR study

Key Points

• New mono- and bis(pyrazolo[1,5-a]pyrimidines) show significant antibacterial activity.
• The study reports that several synthesized compounds exhibit over 75% inhibition of bacterial growth.
• Assessment using density functional theory (DFT) for NMR prediction of chemical shifts enhances the synthesis process.
• The results highlight potential for further development in furan-derived antibacterial agents.