ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V014-9000 |
| Compound Name: | ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C25 H28 Cl N3 O3 |
| Smiles: | CCC(CC)CNC(c1ccc(cc1)n1c(cc(C(=O)OCC)n1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2112 |
| logD: | 6.2112 |
| logSw: | -6.2908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.5 |
| InChI Key: | YENOJKWWHLUXLP-UHFFFAOYSA-N |