4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile
TL;DR: 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile (CAS 1002408-68-5) is a chemical compound with molecular formula C17H13N5O2 and molecular weight 319.10693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[6-(4-acetyl-5-methylpyrazol-1-yl)pyrimidin-4-yl]oxybenzonitrile
Also Known As: 4-[6-(4-acetyl-5-methylpyrazol-1-yl)pyrimidin-4-yl]oxybenzonitrile, 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile, 4-{[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl]oxy}benzonitrile
Technical Specifications
| Molecular Formula | C17H13N5O2 |
| Molecular Weight | 319.10693 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.10693 Da |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
| SMILES | CC1=C(C=NN1C2=CC(=NC=N2)OC3=CC=C(C=C3)C#N)C(=O)C |
| InChIKey | XNBYQPMLLYTWMN-UHFFFAOYSA-N |
Product Description
Applications: 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile (CAS 1002408-68-5) is a fine chemical with the molecular formula C17H13N5O2 and a molecular weight of 319.11 g/mol. Synonyms include 4-[6-(4-acetyl-5-methylpyrazol-1-yl)pyrimidin-4-yl]oxybenzonitrile and 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile
Property Insights of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile. Following Lipinski's Rule of Five, 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile has 0 hydrogen bond donor(s) and 6 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-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile?
The CAS number of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile is 1002408-68-5.
What is the molecular formula of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile?
The molecular formula of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile is C17H13N5O2.
What is the molecular weight of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile?
The molecular weight of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile is 319.10693 g/mol.
What are the applications of 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile?
4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile?
You can request a quote for 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-((6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)oxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.