Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate (CAS 33090-55-0) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-1-methylpyrazole-4-carboxylate
Also Known As: Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate, ethyl 5-cyano-1-methylpyrazole-4-carboxylate, 5-CYANO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, Ethyl 5-cyano-1-methyl-pyrazole-4-carboxylate, Ethyl5-cyano-1-methyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 0.46848 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 361.9563 |
Chemical Identifiers
| CAS Number | 33090-55-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C)C#N |
Product Overview
Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate (CAS 33090-55-0), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: ethyl 5-cyano-1-methylpyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate
The XLogP value of 0.46848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate 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 5-cyano-1-methyl-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate is 33090-55-0.
What is the molecular formula of Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate is C8H9N3O2.
What is the molecular weight of Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate is 179.07 g/mol.
Where can I buy Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.