3-cyano-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide
Chemical Structure Depiction of
3-cyano-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide
3-cyano-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide
Compound characteristics
| Compound ID: | P431-0053 |
| Compound Name: | 3-cyano-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide |
| Molecular Weight: | 333.35 |
| Molecular Formula: | C17 H15 N7 O |
| Smiles: | CN(C)c1cnc(nc1)n1cc(cn1)NC(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1837 |
| logD: | 1.1747 |
| logSw: | -2.2149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.09 |
| InChI Key: | AHQHDLYXXKDEET-UHFFFAOYSA-N |