1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8008-1540 |
| Compound Name: | 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 421.37 |
| Molecular Formula: | C20 H18 F3 N3 O4 |
| Smiles: | CCc1ccc(cc1)C1(CC(C(F)(F)F)=NN1C(Cc1ccc(cc1)[N+]([O-])=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.321 |
| logD: | 4.321 |
| logSw: | -4.3026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.372 |
| InChI Key: | DJIHXHYPPBWYFO-IBGZPJMESA-N |