3,5-Diethynyl-1-methylpyrazole
TL;DR: 3,5-Diethynyl-1-methylpyrazole (CAS 20668-15-9) is a chemical compound with molecular formula C8H6N2 and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diethynyl-1-methylpyrazole
Also Known As: 3,5-diethynyl-1-methylpyrazole, 3,5-diethynyl-1-methyl-pyrazole, 1H-Pyrazole, 3,5-diethynyl-1-methyl- (9CI)
| Molecular Formula | C8H6N2 |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 0.3827 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.0531 |
| Heavy Atoms | 10 |
| Complexity | 320.0073 |
Chemical Identifiers
| CAS Number | 20668-15-9 |
|---|---|
| SMILES | CN1C(=CC(=N1)C#C)C#C |
Product Overview
3,5-Diethynyl-1-methylpyrazole (CAS 20668-15-9), with molecular formula C8H6N2 and molecular weight 130.05 g/mol. IUPAC: 3,5-diethynyl-1-methylpyrazole.
Chemical Property Profile of 3,5-Diethynyl-1-methylpyrazole
Property Insights of 3,5-Diethynyl-1-methylpyrazole
The XLogP value of 0.3827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diethynyl-1-methylpyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 3,5-Diethynyl-1-methylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Diethynyl-1-methylpyrazole has 0 hydrogen bond donor(s) and 1 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 3,5-Diethynyl-1-methylpyrazole?
The CAS number of 3,5-Diethynyl-1-methylpyrazole is 20668-15-9.
What is the molecular formula of 3,5-Diethynyl-1-methylpyrazole?
The molecular formula of 3,5-Diethynyl-1-methylpyrazole is C8H6N2.
What is the molecular weight of 3,5-Diethynyl-1-methylpyrazole?
The molecular weight of 3,5-Diethynyl-1-methylpyrazole is 130.05 g/mol.
Where can I buy 3,5-Diethynyl-1-methylpyrazole?
You can request a quote for 3,5-Diethynyl-1-methylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diethynyl-1-methylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diethynyl-1-methylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.