3-(2-Bromophenyl)pyrazole
TL;DR: 3-(2-Bromophenyl)pyrazole (CAS 114388-04-4) is a chemical compound with molecular formula C9H7BrN2 and molecular weight 221.97926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-bromophenyl)-1H-pyrazole
Also Known As: 3-(2-bromophenyl)-1H-pyrazole, 3-(2-Bromophenyl)pyrazole, 5-(2-bromophenyl)-1H-pyrazole, 3-o-bromophenylpyrazole, 1H-Pyrazole, 3-(2-bromophenyl)-
Technical Specifications
| Molecular Formula | C9H7BrN2 |
| Molecular Weight | 221.97926 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.97926 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC=NN2)Br |
| InChIKey | VDHTYVJAQNZWTD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Bromophenyl)pyrazole
Property Insights of 3-(2-Bromophenyl)pyrazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Bromophenyl)pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3-(2-Bromophenyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromophenyl)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-(2-Bromophenyl)pyrazole?
The CAS number of 3-(2-Bromophenyl)pyrazole is 114388-04-4.
What is the molecular formula of 3-(2-Bromophenyl)pyrazole?
The molecular formula of 3-(2-Bromophenyl)pyrazole is C9H7BrN2.
What is the molecular weight of 3-(2-Bromophenyl)pyrazole?
The molecular weight of 3-(2-Bromophenyl)pyrazole is 221.97926 g/mol.
Where can I buy 3-(2-Bromophenyl)pyrazole?
You can request a quote for 3-(2-Bromophenyl)pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Bromophenyl)pyrazole?
Yes, CoreyChem provides custom synthesis services for 3-(2-Bromophenyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.