TL;DR: 3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (CAS 146778-13-4) is a chemical compound with molecular formula C9H10BrN3 and molecular weight 239.00581 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
Also Known As: 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine, 7281AA, 3-Bromo-2,5,7-trimethyl-pyrazolo[1,5-a]pyrimidine, AE-641/13212164, I14-10268
| Molecular Formula | C9H10BrN3 |
| Molecular Weight | 239.00581 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.00581 Da |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
| SMILES | CC1=CC(=NC2=C(C(=NN12)C)Br)C |
| InChIKey | NASYPSXAHKIZFK-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine. With a topological polar surface area (TPSA) of 30.2 Ų, 3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is 146778-13-4.
The molecular formula of 3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is C9H10BrN3.
The molecular weight of 3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is 239.00581 g/mol.
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