4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole
TL;DR: 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole (CAS 1046454-44-7) is a chemical compound with molecular formula C5H3BrF4N2 and molecular weight 245.94157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole
Also Known As: 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole, 4-Bromo-3,5-bis-difluoromethyl-1H-pyrazole, 3,5-bis(difluoromethyl)-4-bromopyrazole
Technical Specifications
| Molecular Formula | C5H3BrF4N2 |
| Molecular Weight | 245.94157 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.94157 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | C1(=C(NN=C1C(F)F)C(F)F)Br |
| InChIKey | SIBLQIWIVQWXRB-UHFFFAOYSA-N |
Chemical Property Profile of 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole
Property Insights of 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole?
The CAS number of 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole is 1046454-44-7.
What is the molecular formula of 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole?
The molecular formula of 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole is C5H3BrF4N2.
What is the molecular weight of 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole?
The molecular weight of 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole is 245.94157 g/mol.
Where can I buy 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole?
You can request a quote for 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.