![[5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile structure](/static/products/153/153391-40-3.png)
[5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile
TL;DR: [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile (CAS 153391-40-3) is a chemical compound with molecular formula C11H8BrN3 and molecular weight 260.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]acetonitrile
Also Known As: [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile|2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]acetonitrile|2-(5-(4-Bromophenyl)-1H-pyrazol-3-yl)acetonitrile|5-(4-Bromophenyl)-1H-pyrazole-3-acetonitrile|1H-Pyrazole-3-acetonitrile, 5-(4-bromophenyl)-|AK-087/42718343|[5-(4-Bromo-phenyl)-1H-pyraZol-3-yl]-acetonitrile|2-[5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile|MFCD06590041
| Molecular Formula | C11H8BrN3 |
|---|---|
| Molecular Weight | 260.99 g/mol |
| LogP | 2.90528 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.99017 |
| Heavy Atoms | 15 |
| Complexity | 493.29675 |
Chemical Identifiers
| CAS Number | 153391-40-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)CC#N)Br |
Product Overview
[5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile (CAS 153391-40-3), with molecular formula C11H8BrN3 and molecular weight 260.99 g/mol. IUPAC: 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]acetonitrile.
Chemical Property Profile of [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile
Property Insights of [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile
The XLogP value of 2.90528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile. With a topological polar surface area (TPSA) of 52.47 Ų, [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile 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 [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile?
The CAS number of [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile is 153391-40-3.
What is the molecular formula of [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile?
The molecular formula of [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile is C11H8BrN3.
What is the molecular weight of [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile?
The molecular weight of [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile is 260.99 g/mol.
Where can I buy [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile?
You can request a quote for [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-bromophenyl)-1H-pyrazol-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.