2-(1H-pyrazol-1-yl)benzonitrile
TL;DR: 2-(1H-pyrazol-1-yl)benzonitrile (CAS 25775-03-5) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrazol-1-ylbenzonitrile
Also Known As: 2-(1H-pyrazol-1-yl)benzonitrile, 2-pyrazol-1-ylbenzonitrile, 2-(1-Pyrazolyl)benzonitrile, 2- BENZONITRILE, 2-(pyrazol-1-yl)benzonitrile
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 1.74398 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 437.44345 |
Chemical Identifiers
| CAS Number | 25775-03-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N2C=CC=N2 |
Product Overview
2-(1H-pyrazol-1-yl)benzonitrile (CAS 25775-03-5), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: 2-pyrazol-1-ylbenzonitrile.
Chemical Property Profile of 2-(1H-pyrazol-1-yl)benzonitrile
Property Insights of 2-(1H-pyrazol-1-yl)benzonitrile
The XLogP value of 1.74398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-pyrazol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 2-(1H-pyrazol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-pyrazol-1-yl)benzonitrile has 0 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 2-(1H-pyrazol-1-yl)benzonitrile?
The CAS number of 2-(1H-pyrazol-1-yl)benzonitrile is 25775-03-5.
What is the molecular formula of 2-(1H-pyrazol-1-yl)benzonitrile?
The molecular formula of 2-(1H-pyrazol-1-yl)benzonitrile is C10H7N3.
What is the molecular weight of 2-(1H-pyrazol-1-yl)benzonitrile?
The molecular weight of 2-(1H-pyrazol-1-yl)benzonitrile is 169.06 g/mol.
Where can I buy 2-(1H-pyrazol-1-yl)benzonitrile?
You can request a quote for 2-(1H-pyrazol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-pyrazol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-pyrazol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.