1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one
1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one
Compound characteristics
| Compound ID: | 8017-4496 |
| Compound Name: | 1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one |
| Molecular Weight: | 352.82 |
| Molecular Formula: | C17 H21 Cl N2 O4 |
| Smiles: | CC(c1ccc(c(c1)OC)OCC(Cn1c(C)c(c(C)n1)[Cl])O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8414 |
| logD: | 1.8414 |
| logSw: | -2.7762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.183 |
| InChI Key: | KGIJLGSBXJSJRO-AWEZNQCLSA-N |