Synthesis of 3‐(trifluoromethyl)‐1‐(perfluorophenyl)‐1H‐pyrazol‐5(4H)‐one derivatives via Knoevenagel condensation and their biological evaluation

다국어 초록 (Multilingual Abstract)

In search of new active molecules, a small focused library of the synthesis of 3‐(trifluoromethyl)‐1‐(perfluorophenyl)‐1H‐pyrazol‐5(4H)‐one derivatives (4a‐d, 5a‐f, and 6a‐e) has been efficiently prepared via the Knoevenagel condensation approach. All the derivatives were synthesized by conventional and nonconventional methods like ultrasonication and microwave irradiation, respectively. Several derivatives exhibited excellent anti‐inflammatory activity compared to the standard drug. Furthermore, the synthesized compounds were found to have potential antioxidant activity. In addition, to rationalize the observed biological activity data, an in silico absorption, distribution, metabolism, and excretion (ADME) prediction study also been carried out. The results of the in vitro and in silico studies suggest that the 3‐(trifluoromethyl)‐1‐(perfluorophenyl)‐1H‐pyrazol‐5(4H)‐one derivatives (4a‐d, 5a‐f, and 6a‐e) may possess the ideal structural requirements for the further development of novel therapeutic agents.
Herein, we construct pyrazole and fluorine in one molecular framework as new 3‐(trifluoromethyl)‐1‐(perfluorophenyl)‐1 Hpyrazol‐5(4H)‐one derivatives (4a‐d, 5a‐f and 6a‐e) under conventional as well as microwave irradiation and ultrasonication and evaluated for their anti‐inflammatory and antioxidant activity.