N-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 8018-0172 |
| Compound Name: | N-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 341.75 |
| Molecular Formula: | C17 H12 Cl N3 O3 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1ccc(cc1)n1cc(cn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4288 |
| logD: | 3.4288 |
| logSw: | -3.9249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.803 |
| InChI Key: | TZSMYDLHZYNHRI-UHFFFAOYSA-N |