3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
TL;DR: 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile (CAS 546141-91-7) is a chemical compound with molecular formula C15H10N4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-pyridin-2-ylpyrazol-1-yl)benzonitrile
Also Known As: 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile, 3-(4-pyridin-2-ylpyrazol-1-yl)benzonitrile, 3-[4-(Pyridin-2-yl)-1H-pyrazol-1-yl]benzonitrile, Benzonitrile, 3-[4-(2-pyridinyl)-1H-pyrazol-1-yl]-, RefChem:274892
| Molecular Formula | C15H10N4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.80598 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.09055 |
| Heavy Atoms | 19 |
| Complexity | 738.09204 |
Chemical Identifiers
| CAS Number | 546141-91-7 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=CN(N=C2)C3=CC=CC(=C3)C#N |
Product Overview
3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile (CAS 546141-91-7), with molecular formula C15H10N4 and molecular weight 246.09 g/mol. IUPAC: 3-(4-pyridin-2-ylpyrazol-1-yl)benzonitrile.
Chemical Property Profile of 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
Property Insights of 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
The XLogP value of 2.80598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile. With a topological polar surface area (TPSA) of 54.5 Ų, 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile has 0 hydrogen bond donor(s) and 3 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 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile?
The CAS number of 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile is 546141-91-7.
What is the molecular formula of 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile?
The molecular formula of 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile is C15H10N4.
What is the molecular weight of 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile?
The molecular weight of 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile is 246.09 g/mol.
Where can I buy 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile?
You can request a quote for 3-(4-Pyridin-2-yl-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 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.