2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(3,5-dinitrophenoxy)phenyl]acetamide
Chemical Structure Depiction of
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(3,5-dinitrophenoxy)phenyl]acetamide
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(3,5-dinitrophenoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | K061-0140 |
| Compound Name: | 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(3,5-dinitrophenoxy)phenyl]acetamide |
| Molecular Weight: | 544.24 |
| Molecular Formula: | C19 H13 Br F3 N5 O6 |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(Nc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5768 |
| logD: | 4.5768 |
| logSw: | -4.4762 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.374 |
| InChI Key: | BNROMQVRCKXGBR-UHFFFAOYSA-N |