Synthesis of New C,C-Linked Bipyrazole and Comparative Theoretical Calculations

New C,C-linked bipyrazole 1,1’-di(4-aminophenyl)-5,5’-diisopropyl-3,3’-bipyrazole (2) has been synthesized and characterized. Theoretical calculations have been carried out on target 2 and literature 1 C,C-linked bipyrazoles to compare with reported results. All calculations were carried out with the AM1 level of theory using the GAUSSIAN 03. The nature of substituent attached to the pyrazolic nitrogen has an effect on the thermodynamic variable values. The mono and bis N-substituted C,C-linked bipyrazoles have different thermodynamic properties.