4-Bromo-1H-pyrazole-3-carbonitrile
TL;DR: 4-Bromo-1H-pyrazole-3-carbonitrile (CAS 288248-48-6) is a chemical compound with molecular formula C4H2BrN3 and molecular weight 170.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1H-pyrazole-5-carbonitrile
Also Known As: 4-bromo-1H-pyrazole-3-carbonitrile, 4-bromo-1H-pyrazole-5-carbonitrile, 4-Bromo-2H-pyrazole-3-carbonitrile, 1H-Pyrazole-3-carbonitrile, 4-bromo-, 4-Bromopyrazole-3-carbonitrile
| Molecular Formula | C4H2BrN3 |
|---|---|
| Molecular Weight | 170.94 g/mol |
| LogP | 1.04388 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.9432 |
| Heavy Atoms | 8 |
| Complexity | 221.43245 |
Chemical Identifiers
| CAS Number | 288248-48-6 |
|---|---|
| SMILES | C1=NNC(=C1Br)C#N |
Product Overview
4-Bromo-1H-pyrazole-3-carbonitrile (CAS 288248-48-6), with molecular formula C4H2BrN3 and molecular weight 170.94 g/mol. IUPAC: 4-bromo-1H-pyrazole-5-carbonitrile.
Chemical Property Profile of 4-Bromo-1H-pyrazole-3-carbonitrile
Property Insights of 4-Bromo-1H-pyrazole-3-carbonitrile
The XLogP value of 1.04388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1H-pyrazole-3-carbonitrile. With a topological polar surface area (TPSA) of 52.47 Ų, 4-Bromo-1H-pyrazole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1H-pyrazole-3-carbonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-1H-pyrazole-3-carbonitrile?
The CAS number of 4-Bromo-1H-pyrazole-3-carbonitrile is 288248-48-6.
What is the molecular formula of 4-Bromo-1H-pyrazole-3-carbonitrile?
The molecular formula of 4-Bromo-1H-pyrazole-3-carbonitrile is C4H2BrN3.
What is the molecular weight of 4-Bromo-1H-pyrazole-3-carbonitrile?
The molecular weight of 4-Bromo-1H-pyrazole-3-carbonitrile is 170.94 g/mol.
Where can I buy 4-Bromo-1H-pyrazole-3-carbonitrile?
You can request a quote for 4-Bromo-1H-pyrazole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1H-pyrazole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1H-pyrazole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.