N-Nitramino/N-oxyl functionalization strategies were employed to investigate structure-property relationships of energetic materials. Based on single-crystal diffraction data, π-π stacking of pyrazole backbones can be tailored effectively by energetic functionalities, thereby resulting in diversified energetic compounds. Among them, hydroxylammonium 4-amino-3,5-dinitro-1H-pyrazol-1-olate and di...

To develop compounds that are antagonists on ER , but not ER , we have added basic side-chains typically found in nonsteroidal antiestrogens to pyrazole compounds that bind with much higher affinity to ER than to ER . In this way we have developed basic side-chain pyrazoles (BSC-pyrazoles) that are high affinity, potent, selective antagonists on ER . These BSCpyrazoles are themselves inactive o...

A quantitative structure activity relationship (QSAR) study on tetrasubstituted pyrazoles as high affinity ligands for the estrogen receptor (both ERα and ERβ subtypes) have been performed using various combinations of hydrophobic (MlogP), steric (MR) and electronic (Xeq) descriptors. The regression analysis of the data has shown better results in multiparametric regressions upon introduction o...

Enantiomeric-enriched ferrocene-modified pyrazoles were synthesized via the reaction of the ferrocene alcohol, (S)-FcCH(OH)CH₃ (Fc = ferrocenyl), with various pyrazoles in acidic conditions at room temperature within several minutes. X-ray structural data for racemic (R,S)-1N-(3,5-dimethyl pyrazolyl)ethyl ferrocene (1) and its (S)-enantiomer (S)-1 were determined. A series of racemic pyrazolyla...

Objective: Pyrazoles have wide application in medicinal chemistry because of diverse pharmacological activities. As a part of our ongoing research to identify potential inhibitors of cysteine proteases, these observations were guiding initiatives in the present work for the synthesis of some pyrazoles with a desire to see their inhibitory effect on endogenous proteolysis. Methods: We have synth...

Pyrazoles are an important class of five membered heterocyclic compounds; are widely found as the core structure in a large variety of compounds that possess important agrochemical and pharmaceutical activities. Pyrazoles have been the recent target of numerous methodologies, mostly due to their prevalence as scaffolds in synthesis of bioactive compounds and reactions in different media. The ai...

The spectral complexity in the NH stretching mode of hydrogen-bonded pyrazoles is traced back to an extensive Fermi resonance system involving combinations and overtones of at least four aromatic ring modes with significant in plane hydride bending character. The couplings are shown to be inherent in the monomer, but hydrogen bonding is required to bring them into resonance with the NH stretchi...

Among the methods used for synthesis of functionalized heterocyclic compounds, photochemistry has gained immense popularity due to reactivity intermediates in photoinduced reactions. In this study, we report on effect diaryl disulfides as hydrogen atom transfer catalysts transformations pyrazolo[1,2-a]pyrazolones. After excitation with visible light, these compounds are susceptible C–N bond cle...

In the title compound, [Co(II)Cl(2)(C(6)H(10)N(2))(2)], a pair of 3,4,5-trimethyl-pyrazoles act as monodentate ligands. Two Cl(-) anions are also bonded directly to the Co(II) atom, which has a CoN(2)Cl(2) chromophore in a slightly distorted tetra-hedral geometry. The two mol-ecules in the asymmetric unit are related by an approximate twofold rotation roughly parallel to the a axis. The amino H...