3-bromo-1H-pyrazole
TL;DR: 3-bromo-1H-pyrazole (CAS 117413-27-1) is a chemical compound with molecular formula C3H3BrN2 and molecular weight 145.94797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-1H-pyrazole
Also Known As: 3-bromo-1H-pyrazole, 3-Bromopyrazole, 5-Bromo-1H-pyrazole, 1H-Pyrazole, 3-bromo-, bromopyrazole
Technical Specifications
| Molecular Formula | C3H3BrN2 |
| Molecular Weight | 145.94797 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.94797 Da |
| Heavy Atoms | 6 |
| Complexity | 48.0 |
| SMILES | C1=C(NN=C1)Br |
| InChIKey | XHZWFUVEKDDQPF-UHFFFAOYSA-N |
Chemical Property Profile of 3-bromo-1H-pyrazole
Property Insights of 3-bromo-1H-pyrazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3-bromo-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-1H-pyrazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-bromo-1H-pyrazole?
The CAS number of 3-bromo-1H-pyrazole is 117413-27-1.
What is the molecular formula of 3-bromo-1H-pyrazole?
The molecular formula of 3-bromo-1H-pyrazole is C3H3BrN2.
What is the molecular weight of 3-bromo-1H-pyrazole?
The molecular weight of 3-bromo-1H-pyrazole is 145.94797 g/mol.
Where can I buy 3-bromo-1H-pyrazole?
You can request a quote for 3-bromo-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-bromo-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 3-bromo-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.