Synthesis and Crystal Structure of Ethyl-5-amino-1-(5-methyl-1-phenyl-4-pyrazolyl)carbonyl]-3-methylsulfanyl-1H-pyrazole-4-carboxylate

Abstract

The title compound, ethyl-5-amino-1-phenyl-4-pyrazolyl)carbonyl]-3-methylsulfanyl-1H-pyrazole-4-carboxylate (5) (C₁₈H₁₉N₅O₃S) has been synthesized by the treatment of 4 with ethyl-2-cyano-3,3-dimethylthioacrylate in refluxed ethanol. The crystals of triclinic space group P1, with cell dimensions of a = 11.482(9), b = 12.460(9), c = 15.024(11) Å, a = 71.392(12), b = 89.557(12), g = 64.988(11)°, M_r = 385.44, V = 1826(2) ų, μ = 0.207 mm^–1, D_c = 1.402 g cm^–3 and Z = 4. The two pyrazole rings are almost coplanar, which is mainly due to the intramolecular interaction, while these two rings form angles with the benzene ring. The molecules are linked by N–H···O intermolecular hydrogen bonds into two-dimensional framework, and the packing is further stabilized by C–H···p and p···p interactions.