4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile
TL;DR: 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile (CAS 271575-47-4) is a chemical compound with molecular formula C20H20N6 and molecular weight 344.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrazol-5-yl]benzonitrile
Also Known As: 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile, 4-[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-2H-pyrazol-3-yl]benzonitrile
| Molecular Formula | C20H20N6 |
|---|---|
| Molecular Weight | 344.17 g/mol |
| LogP | 2.76218 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.17496 |
| Heavy Atoms | 26 |
| Complexity | 915.1853 |
Chemical Identifiers
| CAS Number | 271575-47-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)C#N |
Product Overview
4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile (CAS 271575-47-4), with molecular formula C20H20N6 and molecular weight 344.17 g/mol. IUPAC: 4-[3-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrazol-5-yl]benzonitrile.
Chemical Property Profile of 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile
Property Insights of 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile
The XLogP value of 2.76218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile has 1 hydrogen bond donor(s) and 5 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-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile?
The CAS number of 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile is 271575-47-4.
What is the molecular formula of 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile?
The molecular formula of 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile is C20H20N6.
What is the molecular weight of 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile?
The molecular weight of 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile is 344.17 g/mol.
Where can I buy 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile?
You can request a quote for 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(4-Methylpiperazin-1-yl)-4-(pyridin-4-yl)-1H-pyrazol-3-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.