N-(4-bromo-3-methylphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
N-(4-bromo-3-methylphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-1407 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 355.14 |
| Molecular Formula: | C12 H11 Br N4 O4 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1c(c(n[nH]1)OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3128 |
| logD: | 3.2174 |
| logSw: | -3.6993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.942 |
| InChI Key: | HTXWZXKCYXWRFV-UHFFFAOYSA-N |