N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-chloro-4-fluorobenzamide
Chemical Structure Depiction of
N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-chloro-4-fluorobenzamide
N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-chloro-4-fluorobenzamide
Compound characteristics
| Compound ID: | V012-1891 |
| Compound Name: | N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-3-chloro-4-fluorobenzamide |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C21 H18 Cl F N4 O |
| Smiles: | CC(C)(C)c1cc(NC(c2ccc(c(c2)[Cl])F)=O)n(c2ccc(C#N)cc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1343 |
| logD: | 4.9352 |
| logSw: | -5.7328 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.821 |
| InChI Key: | GURWSMCWZDTATN-UHFFFAOYSA-N |