ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate
ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate
Compound characteristics
Compound ID: | V003-4946 |
Compound Name: | ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate |
Molecular Weight: | 411.89 |
Molecular Formula: | C22 H22 Cl N3 O3 |
Smiles: | CCCNC(c1ccc(cc1)n1c(cc(C(=O)OCC)n1)c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.6636 |
logD: | 4.6636 |
logSw: | -4.7367 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.341 |
InChI Key: | HOUVEAHAOZYEFN-UHFFFAOYSA-N |