4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate
TL;DR: 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate (CAS 220131-59-9) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate
Also Known As: 4-ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate, 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate, 5-amino-4-ethoxycarbonyl-1-methoxycarbonyl-pyrazole, RefChem:292501
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 0.2565 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 385.23856 |
Chemical Identifiers
| CAS Number | 220131-59-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C(=O)OC)N |
Product Overview
4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate (CAS 220131-59-9), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate.
Chemical Property Profile of 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate
Property Insights of 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate
The XLogP value of 0.2565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate. Following Lipinski's Rule of Five, 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
The CAS number of 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate is 220131-59-9.
What is the molecular formula of 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
The molecular formula of 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate is C8H11N3O4.
What is the molecular weight of 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
The molecular weight of 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate is 213.07 g/mol.
Where can I buy 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
You can request a quote for 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.