5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | K061-0843 |
| Compound Name: | 5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 536.26 |
| Molecular Formula: | C21 H13 Br F3 N5 O4 |
| Smiles: | COc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2c(cc(c3ccc(cc3)[Br])nc12)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.942 |
| logD: | 5.8321 |
| logSw: | -5.4706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.184 |
| InChI Key: | NTOWJILYIOLMOA-UHFFFAOYSA-N |