4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide
4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y509-0947 |
| Compound Name: | 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 371.14 |
| Molecular Formula: | C12 H11 Br N4 O5 |
| Smiles: | COc1ccc(cc1OC)NC(c1c(c(n[nH]1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8224 |
| logD: | 1.7479 |
| logSw: | -2.4142 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.437 |
| InChI Key: | BRGJIZMWGWLMOL-UHFFFAOYSA-N |