ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (CAS 52565-83-0) is a chemical compound with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-oxo-1,2-dihydropyrazole-4-carboxylate
Also Known As: ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate, ethyl 3-amino-5-oxo-1,2-dihydropyrazole-4-carboxylate, ethyl 3-amino-5-oxo-3-pyrazoline-4-carboxylate, A3802/0161351, ethyl5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
| Molecular Formula | C6H9N3O3 |
|---|---|
| Molecular Weight | 171.06 g/mol |
| LogP | -0.5381 |
| Topological Polar Surface Area | 100.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.06439 |
| Heavy Atoms | 12 |
| Complexity | 338.05267 |
Chemical Identifiers
| CAS Number | 52565-83-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NNC1=O)N |
Product Overview
ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (CAS 52565-83-0), with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol. IUPAC: ethyl 3-amino-5-oxo-1,2-dihydropyrazole-4-carboxylate.
Chemical Property Profile of ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
The XLogP value of -0.5381 indicates that ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate has 3 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-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate is 52565-83-0.
What is the molecular formula of ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate is C6H9N3O3.
What is the molecular weight of ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate is 171.06 g/mol.
Where can I buy ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-amino-3-oxo-2,3-dihydro-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-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.