![ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate structure](/static/products/4968/496834-96-9.webp)
ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate
TL;DR: ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate (CAS 496834-96-9) is a chemical compound with molecular formula C19H23N5O4S and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylate
Also Known As: ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate, ethyl 5-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylate, ethyl 5-{[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]carbamoyl}-1-methyl-1H-pyrazole-3-carboxylate, ethyl 5-((3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylate
| Molecular Formula | C19H23N5O4S |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 2.5727 |
| Topological Polar Surface Area | 117.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.14706 |
| Heavy Atoms | 29 |
| Complexity | 981.622 |
Chemical Identifiers
| CAS Number | 496834-96-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NN2C)C(=O)OCC)C#N)C |
Product Overview
ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate (CAS 496834-96-9), with molecular formula C19H23N5O4S and molecular weight 417.15 g/mol. IUPAC: ethyl 5-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylate.
Chemical Property Profile of ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate
Property Insights of ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 2.5727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate. The TPSA of 117.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate is 496834-96-9.
What is the molecular formula of ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate is C19H23N5O4S.
What is the molecular weight of ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate is 417.15 g/mol.
Where can I buy ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-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-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.