4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile
TL;DR: 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile (CAS 1023578-53-1) is a chemical compound with molecular formula C14H9N5 and molecular weight 247.0858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-pyrimidin-4-ylpyrazol-1-yl)benzonitrile
Also Known As: 4-(4-pyrimidin-4-ylpyrazol-1-yl)benzonitrile, 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile
Technical Specifications
| Molecular Formula | C14H9N5 |
| Molecular Weight | 247.0858 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0858 Da |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
| SMILES | C1=CC(=CC=C1C#N)N2C=C(C=N2)C3=NC=NC=C3 |
| InChIKey | RDKIJZCSDSRCLD-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile
Property Insights of 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile?
The CAS number of 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile is 1023578-53-1.
What is the molecular formula of 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile?
The molecular formula of 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile is C14H9N5.
What is the molecular weight of 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile?
The molecular weight of 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile is 247.0858 g/mol.
Where can I buy 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile?
You can request a quote for 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.