ethyl 1-{4-[(heptan-4-yl)carbamoyl]phenyl}-5-(propan-2-yl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(heptan-4-yl)carbamoyl]phenyl}-5-(propan-2-yl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[(heptan-4-yl)carbamoyl]phenyl}-5-(propan-2-yl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V016-6095 |
| Compound Name: | ethyl 1-{4-[(heptan-4-yl)carbamoyl]phenyl}-5-(propan-2-yl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C23 H33 N3 O3 |
| Smiles: | CCCC(CCC)NC(c1ccc(cc1)n1c(cc(C(=O)OCC)n1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2217 |
| logD: | 5.2217 |
| logSw: | -5.0469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.68 |
| InChI Key: | ZFQCKYZHULGUOR-UHFFFAOYSA-N |