2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D458-0863 |
| Compound Name: | 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C20 H21 Cl N4 O S |
| Smiles: | Cc1c(CC(N2CCCC2)=O)c(C)n(c2nc(cs2)c2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.697 |
| logD: | 4.6965 |
| logSw: | -4.8713 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.692 |
| InChI Key: | PMNRWLOIEIGTBZ-UHFFFAOYSA-N |