3-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
Compound ID: | D475-2602 |
Compound Name: | 3-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-1-(pyrrolidin-1-yl)propan-1-one |
Molecular Weight: | 416.93 |
Molecular Formula: | C20 H21 Cl N4 O2 S |
Smiles: | Cc1c(CCC(N2CCCC2)=O)c(n(c2nc(cs2)c2ccc(cc2)[Cl])n1)O |
Stereo: | ACHIRAL |
logP: | 4.0569 |
logD: | 2.0706 |
logSw: | -4.4016 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.124 |
InChI Key: | CETZEDQANJUNDL-UHFFFAOYSA-N |