The stability constants of the complexes of Cu (II), Co (II) and Ni (II) ions with 3-(3’-nitrophenyl)4-(4"-chlorobenzoyl)-5-(2-hydroxyphenyl) pyrazole (L1), 3-(4’-chlorophenyl)-4-(4"-chlorobenzoyl)-5-(2hydroxyphenyl) pyrazole (L2), 3-(4’-methoxyphenyl)-4-benzoyl-5-(2-hydroxyphenyl) pyrazole (L3), 3(4-bromophenyl)-4-furoyl-5-(2-hydroxyphenyl) pyrazole (L4) have been determined by the pH-metric m...

In the title mol-ecule, C(22)H(21)N(3), the isoquinoline ring is almost planar [maximum deviation = 0.046 (1) Å] and makes dihedral angles of 52.01 (4) and 14.61 (4)° with the pyrazole and phenyl rings, respectively. The phenyl ring and the pyrazole ring are twisted by 44.20 (6)° with respect to each other. The terminal C atoms of both of the ethyl groups attached to the pyrazole ring are disor...

The title compound, [Fe(C(11)H(11)N(2)O)(2)], crystallizes with two independent mol-ecules in the asymmetric unit which have have different conformations. In one mol-ecule, the two ferrocene cyclo-penta-dienyl rings are fully eclipsed and the two pyrazole rings are syn to each other; in the other, the two cyclo-penta-dienyl rings are synclinal and the pyrazole rings are anti. In both mol-ecules...

Pyrazole-3-one compounds were designed on the basis of docking studies of previously reported antidiabetic pyrazole compounds. The amino acid residues found during docking studies were used as guidelines for the modification of aromatic substitutions on pyrazole-3-one structure. Depending on the docking score, the designed compounds were selectively prioritized for synthesis. The synthesized co...

Pyrazole dimer is observed for the first time in a free jet expansion. Its IR-active N−H stretching vibration is shifted by −269 cm−1 relative to the monomer. Along the 600 mm slit jet expansion, the average number density of pyrazole dimers is ≈ 10 cm−3. Exploratory quantum chemical calculations including electron correlation are in good agreement with the observed frequency shift and confirm ...

Complexes of Nickel(II) with 2-amino-1,8-naphthyridine-3-carboxamide (ANC), 2-amino-Nphenyl-1,8-naphthyridine-3-carboxamide (APNC), 2-amino-N-(p-methyl phenyl)-1,8-naphthyridine-3carboxamide(AMPNC), 2-amino-N-(p-bromo phenyl)1,8-naphthyridine-3-carboxamide(ABPNC), 2amino-N-(p-chloro phenyl)-1,8-naphthyridine-3-carboxamide (ACPNC), 2-amino-N-(p-methoxy phenyl)1,8-naphthyridine-3-carboxamide (AMY...

Three new complexes, {[Ni 2 (3-PCA) (DMAP) 4 (H O) ]·2H O} , [Cu (4-PP) ·2H O] n and (4-PCA) (2,2′-bpy) are synthesized by the solvothermal method with pyrazole-3-carboxylic acid or pyrazole-4-carboxylic as main ligands 2,2′-bipyridine, 4-dimethylaminopyridine, 4-phenylpyridine auxiliary ligands. The crystal structures of three complexes determined single-crystal X-ray diffraction, powder therm...

Novel substituted 2,3-dihydrobenzofuran-7-carboxamide (DHBF-7-carboxamide) and 2,3-dihydrobenzofuran-3(2H)-one-7-carboxamide (DHBF-3-one-7-carboxamide) derivatives were synthesized and evaluated as inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1). A structure-based design strategy resulted in lead compound 3 (DHBF-7-carboxamide; IC50 = 9.45 μM). To facilitate synthetically feasible derivativ...