4-bromo-N-(4-ethylphenyl)-5-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(4-ethylphenyl)-5-nitro-1H-pyrazole-3-carboxamide
4-bromo-N-(4-ethylphenyl)-5-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1298 |
| Compound Name: | 4-bromo-N-(4-ethylphenyl)-5-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 339.15 |
| Molecular Formula: | C12 H11 Br N4 O3 |
| Smiles: | CCc1ccc(cc1)NC(c1c(c([nH]n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3422 |
| logD: | 3.2836 |
| logSw: | -3.6055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.176 |
| InChI Key: | GJRACBRUBRWALT-UHFFFAOYSA-N |