2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y503-1998 |
| Compound Name: | 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 316.75 |
| Molecular Formula: | C13 H13 Cl N8 |
| Smiles: | Cc1c(c(C)n(CCc2nc3c4cn[nH]c4ncn3n2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.8865 |
| logD: | 0.6272 |
| logSw: | -2.6058 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.269 |
| InChI Key: | MWBWIBIBVTUCOB-UHFFFAOYSA-N |