Ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

Abstract

Key indicators: single-crystal X-ray study; T = 113 K; mean (C-C) = 0.002 Å; R factor = 0.026; wR factor = 0.062; data-to-parameter ratio = 18.2.In the title compound, C 15 H 17 BrN 2 O 3 , the dihedral angle between the benzene and pyrazole rings is 5.63 (2) . The crystal packing is stabilized by weak -stacking interactions [centroid-centroid distance = 3.927 (5)

Novel 1<i>H</i>-Pyrazole-3-carboxamide Derivatives: Synthesis, Anticancer Evaluation and Identification of Their DNA-Binding Interaction

“…[18][19][20][21][22][23][24][25] The unexpected interaction between DNA and pyrazole-derived kinase inhibitors can cause offtarget effects, including potential improvement of cell toxicity and anticancer activity. Pyrazole ring can form a rigid plane with electron-rich system chromophores and embed into the DNA minor grooves to make a π-π stacking with DNA bases, [26][27][28] which is usually essential for the DNA-binding. Additionally, linking flexible groups to pyrazole-contained scaffold may acquire favorable binding affinities to DNA Regular Article * To whom correspondence should be addressed.…”