ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate
TL;DR: ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate (CAS 67122-27-4) is a chemical compound with molecular formula C8H10N4O and molecular weight 178.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1E)-N-(4-cyano-1-methylpyrazol-5-yl)methanimidate
Also Known As: ethyl(4-cyano-1-methyl-1h-pyrazol-5-yl)imidoformate, ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate, ethyl (1E)-N-(4-cyano-2-methylpyrazol-3-yl)methanimidate, 5-((1E)-2-ethoxy-1-azavinyl)-1-methylpyrazole-4-carbonitrile
| Molecular Formula | C8H10N4O |
|---|---|
| Molecular Weight | 178.09 g/mol |
| LogP | 0.98808 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.08546 |
| Heavy Atoms | 13 |
| Complexity | 347.51627 |
Chemical Identifiers
| CAS Number | 67122-27-4 |
|---|---|
| SMILES | CCO/C=N/C1=C(C=NN1C)C#N |
Product Overview
ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate (CAS 67122-27-4), with molecular formula C8H10N4O and molecular weight 178.09 g/mol. IUPAC: ethyl (1E)-N-(4-cyano-1-methylpyrazol-5-yl)methanimidate.
Chemical Property Profile of ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate
Property Insights of ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate
The XLogP value of 0.98808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate. Following Lipinski's Rule of Five, ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate 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
Frequently Asked Questions
What is the CAS number of ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate?
The CAS number of ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate is 67122-27-4.
What is the molecular formula of ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate?
The molecular formula of ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate is C8H10N4O.
What is the molecular weight of ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate?
The molecular weight of ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate is 178.09 g/mol.
Where can I buy ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate?
You can request a quote for ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4-cyano-1-methyl-1H-pyrazol-5-yl)imidoformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.