3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile

Abstract

The title compound, C18H13N3O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31 (8) and 57.24 (8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03 (8)°. The pyrazole ring and the C—C=O plane of the acetyl group are twisted slightly, making a dihedral angle of 7.95 (18)°. In the crystal, mol­ecules are linked through weak C—H⋯N and C—H⋯O inter­actions into a helical chain along the a-axis direction.

Crystal structure of [1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](p-tolyl)methanone

“…The overall molecular geometry of the title compound, has a normal range and are in good agreement with the corresponding values obtained in case of related structures (Abdel-Aziz et al,2012;Sharma et al, 2014…”

(Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one

“…It was prepared as part of our on-going studies of azo dyes with possible medical applications (Vyas et al, 2011). The bond distances in the title compound are comparable to the closely related structures (Abdel-Aziz et al, 2012;Sharma et al, 2012). The central pyrazole (N1/N2/C3/C4/C5) ring makes dihedral angles of 4.75 (9)° and 49.11 (9)°, respectively, with the phenyl (C6-C11) and methyl-substituted benzene (C12-C17) rings.…”

Synthesis, Docking Study and β-Adrenoceptor Activity of Some New Oxime Ether Derivatives

“…Automated docking simulations were conducted with the Molegro Virtual Docker 2007 (MVD 2007.2.2.5–Aug 27, 2007 [win32]) fully functional free trial version with time limiting license [20] 3D Molecular structures and energy minimization were carried out by free version of Marvinsketch 4.1.13 from Chemaxon Ltd. (Budapest, Hungary) [28]. 3D crystal structures of β 1 and β 2 -adrenergic receptors were obtained from Protein Data Bank (PDB); entries 2VT4 and 2R4R, respectively [18,19,29].…”