ADME studies of pyrazole containing 1,2,3-triazoles

Abstract

A series of novel 4-(aryl)-1-(1-methyl-1H-pyrazol-4-yl)-1H-1,2,3-triazole derivatives (IVa–IVl) were
evaluated for their physicochemical, bioavailability, and drug-likeness properties using the
SwissADME platform. The synthesized compounds exhibited molecular weights ranging from 225.25
to 304.15 g/mol and moderate lipophilicity (MLogP = 1.12–2.54), indicating favorable membrane
permeability. The topological polar surface area (TPSA) values were within the acceptable range for
oral drug candidates, and all compounds demonstrated high gastrointestinal absorption. Bioavailability
radar analysis revealed that most derivatives occupied the optimal physicochemical space required for
oral bioavailability. Furthermore, all compounds complied with Lipinski, Ghose, Veber, Egan, and
Muegge drug-likeness criteria without any violations. The bioavailability score of 0.55 observed for
all derivatives further supports their potential as orally active molecules. Comparative analysis with
Erlotinib suggested that the synthesized triazole–pyrazole hybrids possess promising drug-like
characteristics and may serve as attractive scaffolds for future therapeutic development.