1-ethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide
1-ethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9719 |
| Compound Name: | 1-ethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 333.37 |
| Molecular Formula: | C14 H15 N5 O3 S |
| Smiles: | CCn1cc(cn1)C(NC(Nc1cc(ccc1C)[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1186 |
| logD: | 2.1172 |
| logSw: | -2.7597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.425 |
| InChI Key: | FFEIOLSRKUJNEE-UHFFFAOYSA-N |