1-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
1-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 4607-1633 |
| Compound Name: | 1-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 423.35 |
| Molecular Formula: | C19 H16 F3 N3 O5 |
| Smiles: | COc1cccc(c1)C1CC(C(F)(F)F)(N(C(Cc2ccc(cc2)[N+]([O-])=O)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4267 |
| logD: | 3.4266 |
| logSw: | -3.8101 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.916 |
| InChI Key: | XZIRAAMDHDOLPA-SFHVURJKSA-N |