N-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
N-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0962 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 471.39 |
| Molecular Formula: | C22 H16 F3 N5 O4 |
| Smiles: | COc1ccc(CNC(c2cc3nc(cc(C(F)(F)F)n3n2)c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6607 |
| logD: | 4.6606 |
| logSw: | -4.4926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.736 |
| InChI Key: | DEVRHKJWRXNDCK-UHFFFAOYSA-N |