نتایج جستجو برای: ccufe2o4sio2c3 pyrazole c4so3 h2pw
تعداد نتایج: 3198 فیلتر نتایج به سال:
The physical and chemical properties of Pyrazole and Pyrazoline molecules were theoreticallystudied by Gaussian 03, software with NMR and Molecular orbital calculations at B3LYP/6-31G andB3LYP/6-31+G(d) levels, in gas phase and solution. In this study a comparison effect of threesolvents with different dielectric constants on Pyrazole and Pyrazoline molecules in aspect energyinteraction between...
In-silico quantitative structure-activity relationship (QSAR) study was performed to develop a model on series of novel pyrazole derivatives containing acetamide moiety which exhibited considerable antiproliferative activity against human colorectal adenocarcinoma cell line HT-29. The obtained has correlation coefficient (r) 0.9693, squared (r2) 0.9395 and leave-one-out (LOO) cross-validation (...
The pyazole ring in the title compound, C(6)H(9)ClN(2), is almost planar (r.m.s. deviation = 0.003 Å). In the crystal, mol-ecules are linked by C-H⋯N inter-actions, forming [100] chains.
In this contribution pyrazole is identified as an excellent anchor group that forms high quality films under pH controlled conditions, allowing the modulation of electrical properties with a more efficient electronic coupling in basic conditions.
The title compound, C7H14N2Si, crystallizes in a tetra-gonal space group and exists as an N-H⋯N hydrogen-bonded tetra-mer, formed around the crystallographic fourfold rotoinversion axis. The mol-ecular identity is clearly the 5-tri-methyl-silyl-3-methyl-1H-pyrazole tautomer and the structure is isomorphous with that of 5-tert-butyl-3-methyl-1H-pyrazole [Foces-Foces & Trofimenko (2001 ▶). Acta C...
A base mediated reaction of α-diazo-β-ketosulfone with nitroalkenes affords sulfonylpyrazoles as single regioisomers in excellent yield in a one-pot room temperature reaction. Aryl, heteroaryl, styrenyl, alkyl, hydroxymethyl, and hydrazinyl groups could be introduced on the pyrazole ring by the appropriate choice of nitroalkenes. Synthesis of sulfonylpyrazole fused to other heterocycles and app...
In the title compound, C22H25ClN2O, the pyrazole ring exhibits an envelope conformation with the methine C atom as the flap. The benzene rings are twisted by 3.3 (5) and 84.6 (5)° from the pyrazole mean plane, and are inclined to each other by 81.4 (4)°. In the crystal, pairs of weak C-H⋯O hydrogen bonds form centrosymmetric dimers with an R 2 (2)(16) graph-set motif. C-H⋯π inter-actions link t...
In the title compound, C16H8F6N2, the dihedral angle between the pyrazole and di-fluoro-benzene rings is 50.30 (13)°, while those between the pyrazole and fluoro-benzene rings and between the di-fluoro-benzene and fluoro-benzene rings are 38.56 (13) and 53.50 (11)°, respectively. Aromatic π-π stacking inter-actions between adjacent di-fluoro-benzene rings [centroid-centroid separation = 3.6082 ...
We performed a virtual screen of ∼340 000 small molecules against the active site of proteasomes followed by in vitro assays and subsequent optimization, yielding a proteasome inhibitor with pyrazole scaffold. The pyrazole-scaffold compound displayed excellent metabolic stability and was highly effective in suppressing solid tumor growth in vivo. Furthermore, the effectiveness of this compound ...
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