ethyl 5-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
ethyl 5-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y502-1992 |
| Compound Name: | ethyl 5-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C15 H16 N4 O3 S |
| Smiles: | CCOC(c1cc(C(Nc2c(C#N)c(C)c(C)s2)=O)n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0358 |
| logD: | -1.229 |
| logSw: | -2.796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.45 |
| InChI Key: | SKWAQTATGSTCLG-UHFFFAOYSA-N |