2-(3,4-dimethoxyphenyl)-1-[3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-[3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-(3,4-dimethoxyphenyl)-1-[3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5634-0186 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 436.43 |
| Molecular Formula: | C22 H23 F3 N2 O4 |
| Smiles: | CCc1ccc(cc1)C1CC(C(F)(F)F)(N(C(Cc2ccc(c(c2)OC)OC)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0138 |
| logD: | 4.0138 |
| logSw: | -4.1687 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.251 |
| InChI Key: | KDWKDHXFHGZXBU-NRFANRHFSA-N |