2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-hydroxy-5-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-hydroxy-5-nitrophenyl)acetamide
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-hydroxy-5-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | K061-0139 |
| Compound Name: | 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-hydroxy-5-nitrophenyl)acetamide |
| Molecular Weight: | 423.14 |
| Molecular Formula: | C13 H10 Br F3 N4 O4 |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(Nc1cc(cc(c1)O)[N+]([O-])=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7414 |
| logD: | 2.5007 |
| logSw: | -2.8781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.862 |
| InChI Key: | CYUCGWOGAMQKCF-UHFFFAOYSA-N |