Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate
TL;DR: Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate (CAS 220131-60-2) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-aminopyrazole-1,4-dicarboxylate
Also Known As: diethyl 5-aminopyrazole-1,4-dicarboxylate, 5-Amino-1,4-diethoxycarbonylpyrazole, Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate, 1,4-diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate, diethyl5-aminopyrazole-1,4-dicarboxylate
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 220131-60-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C(=O)OCC)N |
| InChIKey | IXDAMGOOPXGHDW-UHFFFAOYSA-N |
Product Overview
Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate (CAS 220131-60-2), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: diethyl 5-aminopyrazole-1,4-dicarboxylate.
Chemical Property Profile of Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate
Property Insights of Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 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 Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
The CAS number of Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate is 220131-60-2.
What is the molecular formula of Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
The molecular formula of Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate is C9H13N3O4.
What is the molecular weight of Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
The molecular weight of Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate is 227.09 g/mol.
Where can I buy Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
You can request a quote for Diethyl 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 Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.