(2-nitrophenyl)methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Chemical Structure Depiction of
(2-nitrophenyl)methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
(2-nitrophenyl)methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | D372-0008 |
| Compound Name: | (2-nitrophenyl)methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| Molecular Weight: | 442.35 |
| Molecular Formula: | C21 H13 F3 N4 O4 |
| Smiles: | C(c1ccccc1[N+]([O-])=O)OC(c1cnn2c(cc(c3ccccc3)nc12)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2738 |
| logD: | 5.2738 |
| logSw: | -5.4963 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.106 |
| InChI Key: | UBHICQYWZVHPKS-UHFFFAOYSA-N |