1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 3852-0267 |
| Compound Name: | 1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 438.32 |
| Molecular Formula: | C18 H13 F3 N4 O6 |
| Smiles: | C(C(N1C(CC(c2cccc(c2)[N+]([O-])=O)=N1)(C(F)(F)F)O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3104 |
| logD: | 3.3103 |
| logSw: | -3.4706 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.754 |
| InChI Key: | QWLPRVUXHJQUNG-KRWDZBQOSA-N |