4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-ethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-ethyl-1H-pyrazole-5-carboxamide
4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-ethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-7116 |
| Compound Name: | 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-ethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 459.3 |
| Molecular Formula: | C20 H19 Br N4 O4 |
| Smiles: | CCn1c(C(Nc2cc(cc(c2)Oc2cc(C)cc(C)c2)[N+]([O-])=O)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2962 |
| logD: | 5.1039 |
| logSw: | -5.2437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.413 |
| InChI Key: | DVQAUQJUPRCNHB-UHFFFAOYSA-N |