First Alliance of Pyrazole and Furoxan Leading to High-Performance Energetic Materials.

Nitrogen heterocyclic scaffolds retain their leading position as valuable building blocks in material science, particularly for the design of small-molecule energetic materials. However, the search for more balanced combinations of directly linked heterocyclic cores is far from being exhausted and aims to reach ideally balanced high-energy substances. Herein, we present the synthetic route to novel pyrazole-furoxan framework enriched with nitro groups and demonstrate a promising set of properties, viz.

Adamantyl-ureas with pyrazoles substituted by fluoroalkanes as soluble epoxide hydrolase inhibitors.

A series of soluble epoxide hydrolase (sEH) inhibitors containing halogenated pyrazoles was developed. Inhibition potency of the obtained compounds ranges from 0.8 to 27.

Thermal stability of emerging N6-type energetic materials: kinetic modeling of simultaneous thermal analysis data to explain sensitivity trends.

A number of new high-performing energetic materials possess explosophoric functionalities, high nitrogen content, and fused heterocyclic blocks. Two representatives of these materials have been synthesized recently, namely, 1,2,9,10-tetranitrodipyrazolo[1,5-:5',1'-][1,2,3,4]-tetrazine (1) and 2,9-dinitrobis([1,2,4]triazolo)[1,5-:5',1'-][1,2,3,4]tetrazine (2). The thermal stability of these energetic materials bearing the N-N-N = N-N-N fragment and three closely related compounds has been investigated for the first time.

Autocatalytic decomposition of energetic materials: interplay of theory and thermal analysis in the study of 5-amino-3,4-dinitropyrazole thermolysis.

A reliable kinetic description of the thermal stability of energetic materials (EM) is very important for safety and storage-related problems. Among other pertinent issues, autocatalysis very often complicates the decomposition kinetics of EM. In the present study, the kinetics and decomposition mechanism of a promising energetic compound, 5-amino-3,4-dinitro-1-pyrazole (5-ADP) were studied using a set of complementary experimental (, differential scanning calorimetry in the solid state, melt, and solution along with advanced thermokinetic models, accelerating rate calorimetry, and evolved gas analysis) and theoretical techniques (CCSD(T)-F12 and DLPNO-CCSD(T) predictive quantum chemical calculations).