N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3,5-dichlorobenzamide
Chemical Structure Depiction of
N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3,5-dichlorobenzamide
N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3,5-dichlorobenzamide
Compound characteristics
| Compound ID: | V012-4089 |
| Compound Name: | N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3,5-dichlorobenzamide |
| Molecular Weight: | 413.3 |
| Molecular Formula: | C21 H18 Cl2 N4 O |
| Smiles: | CC(C)(C)c1cc(NC(c2cc(cc(c2)[Cl])[Cl])=O)n(c2ccc(C#N)cc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0782 |
| logD: | 5.8937 |
| logSw: | -6.2125 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.821 |
| InChI Key: | VGJXPAYHNZIATM-UHFFFAOYSA-N |