4-bromo-1,3-dimethyl-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-1,3-dimethyl-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
4-bromo-1,3-dimethyl-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-7778 |
| Compound Name: | 4-bromo-1,3-dimethyl-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 339.15 |
| Molecular Formula: | C12 H11 Br N4 O3 |
| Smiles: | Cc1c(c(C(Nc2cccc(c2)[N+]([O-])=O)=O)n(C)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.3036 |
| logD: | 2.147 |
| logSw: | -2.9957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.58 |
| InChI Key: | NJPYFBPMLVQSIP-UHFFFAOYSA-N |