N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-methylbenzamide
Chemical Structure Depiction of
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-methylbenzamide
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-methylbenzamide
Compound characteristics
| Compound ID: | V014-4601 |
| Compound Name: | N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-methylbenzamide |
| Molecular Weight: | 402.32 |
| Molecular Formula: | C21 H21 Cl2 N3 O |
| Smiles: | Cc1ccccc1C(Nc1cc(C(C)(C)C)nn1c1cc(ccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2074 |
| logD: | 5.7289 |
| logSw: | -6.0209 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.464 |
| InChI Key: | JRMJWKFLSZWCDG-UHFFFAOYSA-N |