1-ethyl-N-[(4-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[(4-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide
1-ethyl-N-[(4-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9718 |
| Compound Name: | 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 319.34 |
| Molecular Formula: | C13 H13 N5 O3 S |
| Smiles: | CCn1cc(cn1)C(NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0072 |
| logD: | 2.0061 |
| logSw: | -2.5349 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.123 |
| InChI Key: | JUSXJYMXSDCLLM-UHFFFAOYSA-N |