Methyl 3-[3-(ethoxycarbonyl)thioureido]-1H-pyrazole-5-carboxylate

Abstract

The title compound, C9H12N4O4S, was proven to be the product of the reaction of methyl 5-amino-1H-pyrazole-3-carboxylate with ethyl isothiocyanatocarbonate. All non-H atoms of the molecule are planar, the mean deviation from the least squares plane being 0.048 Å. The intramolecular N—H...O bond involving the NH-group, which links the thiourea and pyrazole fragments, closes a six-membered pseudo-heterocyclic ring, and two more hydrogen bonds (N—H...O with the participation of the pyrazole NH group and N—H...S involving the second thiourea NH group) link the molecules into infinite chains running along [1overline{2}0].