N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-chlorobenzamide
Chemical Structure Depiction of
N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-chlorobenzamide
N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-chlorobenzamide
Compound characteristics
| Compound ID: | V010-3273 |
| Compound Name: | N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-chlorobenzamide |
| Molecular Weight: | 378.86 |
| Molecular Formula: | C21 H19 Cl N4 O |
| Smiles: | CC(C)(C)c1cc(NC(c2cccc(c2)[Cl])=O)n(c2ccc(C#N)cc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2571 |
| logD: | 5.229 |
| logSw: | -5.7834 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.821 |
| InChI Key: | OVWHIGKSUDDFEA-UHFFFAOYSA-N |