Application of Free-Wilson models in spectroscopy. Reevaluation of the Tensmeyer additivity system in the proton NMR of pyrazoles was written by Cativiela, C.;Garcia, J. I.;Elguero, J.. And the article was included in Anales de Quimica, Serie C: Quimica Organica y Bioquimica in 1987.Electric Literature of C11H10N2O2 This article mentions the following:
Modified coefficients of the Tensmeyer additivity system are used to calculate 1H NMR chem. shifts δ(4-H) of the proton at the 4-position of 1,3,5-substituted pyrazoles. The coefficients were reevaluated by using a more accurate math. procedure. In the experiment, the researchers used many compounds, for example, 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid (cas: 10199-53-8Electric Literature of C11H10N2O2).
1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid (cas: 10199-53-8) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. Pyrazole rings have been used as core components of several leading non-steroidal anti-inflammatory drugs (NSAIDs) and antihypertensive drugs. It has also been found to be useful as a bifunctional ligand for metal catalysis.Electric Literature of C11H10N2O2
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics