Abstract Organic syntheses by adopting green protocols such as sonochemical procedures, microwave technologies, solvent-free conditions, solvent, heterogeneous catalysis particularly nanocatalysts, ionic liquids have replaced the traditional procedures due to concerns pertaining especially environment. The heterocycle, pyrazole, its multifaceted applications has been cyanosure of chemists and t...

The remarkable prevalence of pyrazole scaffolds in a versatile array bioactive molecules ranging from apixaban, an anticoagulant used to treat and prevent blood clots stroke, bixafen, pyrazole-carboxamide fungicide control diseases rapeseed cereal plants, has encouraged both medicinal organic chemists explore new methods developing pyrazole-containing compounds for different applications. Altho...

In the title compound, C(29)H(29)N(5), the central pyridine ring and the two pyrazole rings are approximately coplanar, the dihedral angles between the pyridine and pyrazole rings being 3.94 (12) and 14.84 (12)°. The pyrazole and phenyl rings on each side of the mol-ecule are twisted with dihedral angles of 46.72 (8) and 73.39 (8)°. One phenyl ring inter-acts with a pyrazole ring of a neighbour...

Potential energy surfaces of N,N-hydrogen migration of pyrazole and 5-methyl pyrazole for the ground and triplet states were calculated by the ab initio molecular orbital methods. All potential energy surfaces for the N.N-hydrogen shift have high energy barriers. The occurrence of the structural change indispensable to the switching function is doubtful for pyrazole and 5-methyl pyrazole. The s...

A series of pyrazole carboxamide and isoxazolol pyrazole carboxylate derivatives were designed and synthesized in this study. The structures of the compounds were elucidated based on spectral data (infrared, proton nuclear magnetic resonance and mass spectroscopy). Then, all of the compounds were bioassayed in vitro against four types of phytopathogenic fungi (Alternaria porri, Marssonina coron...

BACKGROUND Special diphenyl-pyrazole compounds and in particular anle138b were found to reduce the progression of prion and Parkinson's disease in animal models. The therapeutic impact of these compounds was attributed to the modulation of α-synuclein and prion-protein aggregation related to these diseases. METHODS Photophysical and photochemical properties of the diphenyl-pyrazole compounds ...

In the title pyrazole derivative, C(19)H(15)N(3)O, the central pyrazole ring makes dihedral angles of 42.71 (9) and 61.34 (9)°, respectively, with the phenyl and p-tolyl rings. The dihedral angle between the phenyl and p-tolyl rings is 58.22 (9)°. The 3-acetyl-1H-pyrazole-4-carbonitrile unit is essentially planar, with an r.m.s. deviation of 0.0295 (1) Å for the ten non-H atoms.

In the title compound, C(27)H(19)N(3)O(4), the phenol and pyrazole rings are almost coplanar [dihedral angle = 0.95 (12)°] due to an intra-molecular O-H⋯N hydrogen bond, whereas the phenyl ring is tilted by 40.81 (7)° with respect to the plane of the pyrazole ring. The aromatic ring with a nitro-phen-oxy substituent makes a dihedral angle of 54.10 (7)° with the pyrazole ring.

ABSTRACT. The inhibition of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) and papain-like (PLpro) prevents viral multiplications. Molecular docking, absorption, distribution, metabolism, excretion, toxicity (ADMET) studies pyrazole-indole molecules 6a, b, Schiff bases 8a, pyrazolo[1,5-a]pyrimidines 10a, b were performed done. Based on the molecular docking st...

The replacement of one pyrazole ligand by 2-aminopyridine in previously known rhenium tricarbonyl pyrazole complexes leads to more selective anion hosts.