5-Amino-4-cyano-1-ethoxycarbonylpyrazole
TL;DR: 5-Amino-4-cyano-1-ethoxycarbonylpyrazole (CAS 220131-58-8) is a chemical compound with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-cyanopyrazole-1-carboxylate
Also Known As: TimTec1_004681, 5-AMINO-4-CYANO-1-ETHOXYCARBONYLPYRAZOLE, Ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate, ethyl 5-amino-4-cyanopyrazole-1-carboxylate, Ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate #
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 220131-58-8 |
|---|---|
| SMILES | CCOC(=O)N1C(=C(C=N1)C#N)N |
| InChIKey | YTUIXXYRESZOKC-UHFFFAOYSA-N |
Product Overview
5-Amino-4-cyano-1-ethoxycarbonylpyrazole (CAS 220131-58-8), with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol. IUPAC: ethyl 5-amino-4-cyanopyrazole-1-carboxylate.
Chemical Property Profile of 5-Amino-4-cyano-1-ethoxycarbonylpyrazole
Property Insights of 5-Amino-4-cyano-1-ethoxycarbonylpyrazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-cyano-1-ethoxycarbonylpyrazole. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-cyano-1-ethoxycarbonylpyrazole. Following Lipinski's Rule of Five, 5-Amino-4-cyano-1-ethoxycarbonylpyrazole has 1 hydrogen bond donor(s) and 5 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 5-Amino-4-cyano-1-ethoxycarbonylpyrazole?
The CAS number of 5-Amino-4-cyano-1-ethoxycarbonylpyrazole is 220131-58-8.
What is the molecular formula of 5-Amino-4-cyano-1-ethoxycarbonylpyrazole?
The molecular formula of 5-Amino-4-cyano-1-ethoxycarbonylpyrazole is C7H8N4O2.
What is the molecular weight of 5-Amino-4-cyano-1-ethoxycarbonylpyrazole?
The molecular weight of 5-Amino-4-cyano-1-ethoxycarbonylpyrazole is 180.06 g/mol.
Where can I buy 5-Amino-4-cyano-1-ethoxycarbonylpyrazole?
You can request a quote for 5-Amino-4-cyano-1-ethoxycarbonylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-cyano-1-ethoxycarbonylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-cyano-1-ethoxycarbonylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.