4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile
TL;DR: 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile (CAS 1022319-52-3) is a chemical compound with molecular formula C17H13N3 and molecular weight 259.11096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(4-methylphenyl)pyrazol-1-yl]benzonitrile
Also Known As: 4-[4-(4-methylphenyl)pyrazol-1-yl]benzonitrile, 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile
Technical Specifications
| Molecular Formula | C17H13N3 |
| Molecular Weight | 259.11096 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.11096 Da |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
| SMILES | CC1=CC=C(C=C1)C2=CN(N=C2)C3=CC=C(C=C3)C#N |
| InChIKey | RXFKZZVIUBCORS-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile
Property Insights of 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile
The XLogP value of 3.6 indicates that 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(p-Tolyl)-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
What is the CAS number of 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile?
The CAS number of 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile is 1022319-52-3.
What is the molecular formula of 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile?
The molecular formula of 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile is C17H13N3.
What is the molecular weight of 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile?
The molecular weight of 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile is 259.11096 g/mol.
Where can I buy 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile?
You can request a quote for 4-(4-(p-Tolyl)-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-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(4-(p-Tolyl)-1H-pyrazol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.