Ethyl 1H-pyrazole-3-carboxylate
TL;DR: Ethyl 1H-pyrazole-3-carboxylate (CAS 21056-77-9) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1H-pyrazole-5-carboxylate
Also Known As: ethyl 1H-pyrazole-3-carboxylate, ethyl 1H-pyrazole-5-carboxylate, Ethyl pyrazole-3-carboxylate, Ethyl 3-Pyrazolecarboxylate, ethoxycarbonylpyrazole
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 0.5864 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 205.53221 |
Chemical Identifiers
| CAS Number | 21056-77-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=NN1 |
Product Overview
Ethyl 1H-pyrazole-3-carboxylate (CAS 21056-77-9), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: ethyl 1H-pyrazole-5-carboxylate.
Chemical Property Profile of Ethyl 1H-pyrazole-3-carboxylate
Property Insights of Ethyl 1H-pyrazole-3-carboxylate
The XLogP value of 0.5864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, Ethyl 1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1H-pyrazole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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 1H-pyrazole-3-carboxylate?
The CAS number of Ethyl 1H-pyrazole-3-carboxylate is 21056-77-9.
What is the molecular formula of Ethyl 1H-pyrazole-3-carboxylate?
The molecular formula of Ethyl 1H-pyrazole-3-carboxylate is C6H8N2O2.
What is the molecular weight of Ethyl 1H-pyrazole-3-carboxylate?
The molecular weight of Ethyl 1H-pyrazole-3-carboxylate is 140.06 g/mol.
Where can I buy Ethyl 1H-pyrazole-3-carboxylate?
You can request a quote for Ethyl 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 1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.