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.