HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-phenylpyrazolo[1,5-a]pyrimidine
2-[3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-THIENYL]-7-PHENYLPYRAZOLO[1,5-A]PYRIMIDINE · Pyrazolo[1,5-a]pyrimidine, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-phenyl- · 2,5-dimethyl-1-(2-{7-phenylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-1H-pyrrole
![2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-phenylpyrazolo[1,5-a]pyrimidine molecular structure](/img/chemical/3693539.png)
Identifiers & Physical Properties
| CAS No. | 478258-98-9 |
|---|---|
| Molecular formula | C22H18N4S |
| Average molar mass | 370.5 g/mol |
| Monoisotopic mass | 370.12521776 g/mol |
| SMILES | Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccccc3)n2n1 |
| InChIKey | PXABSJKVNFESFA-UHFFFAOYSA-N |
| PubChem CID | 3693539 |
| DTXSID | DTXSID901136742 |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 63.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 501 |
| Density | 1.28±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | -0.63±0.40(Predicted) |