N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbut-2-enamide
Chemical Structure Depiction of
N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbut-2-enamide
N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbut-2-enamide
Compound characteristics
| Compound ID: | V013-6781 |
| Compound Name: | N-[3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbut-2-enamide |
| Molecular Weight: | 331.84 |
| Molecular Formula: | C18 H22 Cl N3 O |
| Smiles: | CC(C)=CC(Nc1cc(C(C)(C)C)nn1c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9563 |
| logD: | 4.8476 |
| logSw: | -5.0703 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.522 |
| InChI Key: | KVCPVMBSIBATQF-UHFFFAOYSA-N |