1152334-07-0Relevant academic research and scientific papers
Synthesis, spectroscopic (FT-IR and NMR), DFT and molecular docking studies of ethyl 1-(3-nitrophenyl)-5-phenyl-3-((4-(trifluoromethyl)phenyl)carbamoyl)-1H-pyrazole-4-carboxylate
Bayrakdar, Alpaslan,Mert, Samet,Kas?mo?ullar?, Rahmi,Bangaru, Sathya,Manivannan, Prasath
, p. 2087 - 2109 (2022/03/09)
Trifluoromethyl group containing pyrazole-3-carboxamide derivative is synthesized and the structure of the molecule (E3N5PC) has been verified by using FT-IR, 1H NMR, 13C NMR spectroscopic methods and elemental analysis. In order to determine the theoretical characterization, spectroscopic and electronic properties of the title compound, DFT calculations employing B3LYP method with 6-311 + + G(d, p) basis set has been carried out by utilizing Gaussian 09w package program. In addition, VEDA 4xx software has been used to determine the vibrational frequencies of the title molecule with potential energy distribution percentage. Chemical selectivity and reactivity of the drug molecule, which helps to improve the stability of the molecule, are analyzed via NBO calculations. Molecular docking is to find the best fit orientation of the title molecule with the?cannabinoid receptor1.
Design, synthesis, characterization, and antiproliferative activity of novel pyrazole-3-carboxylic acid derivatives
Kasimo?ullari, Rahmi,Duran, Hamdiye,Ya?lio?lu, Ay?e ?ahin,Mert, Samet,Demirta?, Ibrahim
, p. 1743 - 1749 (2015/09/21)
In this study several novel 4-substituted-1-(3-nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid derivatives were synthesized. The structures of these pyrazole-3-carboxylic acid derivatives were characterized by FT-IR, 1H NMR, 13C
Reactions of some pyrazole-3-carboxylic acids with various N,N'-binucleophiles and investigation of their antiproliferative activities
Kasimo?ullari, Rahmi,Maden, Makbule,Yaglioglu, Ayse Sahin,Mert, Samet,Demirta?, Ibrahim
, p. 1134 - 1139 (2015/09/28)
Synthesis, characterization, and antiproliferative activity evaluation of a series of novel pyrazole bis-carboxamide derivatives (8-12) have been described. Synthesized molecules have been screened to evaluate their antiproliferative activities against HeLa (human uterus carcinoma), Vero (green monkey kidney), and C6 (Rat Brain tumor) cells as in vitro. The tests are carried out as dose-dependent assay starting from 100 μg/mL to 500 μg/mL. Generally the compounds have been shown to possess weak antiproliferative activity against all cell lines as compared with Cisplatin and 5-Fluorouracil. Only compound 8 shows moderate antiproliferative activity against Hela cancer cells.
