N-[(1E)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methylene]-1H-imidazole-1-carboxamide.
In the title compound, C(16)H(18)N(6)O, an N-carbonylimidazole derivative of pyrazoline-1-carboximidamide, the pi-electron density of the N atom in the 1-position on the pyrazoline ring is delocalized through the amidine moiety and the adjacent carbonyl group. The imidazole ring, though coplanar with the rest of the molecule, is deconjugated. The pyrazoline ring adopts a flat-envelope conformation, having the substituted phenyl ring oriented perpendicular to the mean plane of the heterocycle. Both of the two potential hydrogen-bond donors are involved in intramolecular hydrogen-bonding interactions.
Kettmann
Viktor
V
Faculty of Pharmacy, Comenius University, Odbojarov 10, Bratislava 83232, Slovak Republic. kettmann@fpharm.uniba.sk
Svetlík
Jan
J
Kubista
Jirí
J