ethyl 1H-pyrazole-4-carboxylate
TL;DR: ethyl 1H-pyrazole-4-carboxylate (CAS 1242339-75-8) 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-4-carboxylate
Also Known As: Ethyl 4-pyrazolecarboxylate, Ethyl 1H-pyrazole-4-carboxylate, Ethyl pyrazole-4-carboxylate, 4-Acetylpyrazole, 4-ethoxycarbonylpyrazole
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 1242339-75-8 |
|---|---|
| SMILES | CCOC(=O)C1=CNN=C1 |
| InChIKey | KACZQOKEFKFNDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 1H-pyrazole-4-carboxylate (CAS 1242339-75-8), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: ethyl 1H-pyrazole-4-carboxylate.
Chemical Property Profile of ethyl 1H-pyrazole-4-carboxylate
Property Insights of ethyl 1H-pyrazole-4-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1H-pyrazole-4-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, ethyl 1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1H-pyrazole-4-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-4-carboxylate?
The CAS number of ethyl 1H-pyrazole-4-carboxylate is 1242339-75-8.
What is the molecular formula of ethyl 1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 1H-pyrazole-4-carboxylate is C6H8N2O2.
What is the molecular weight of ethyl 1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 1H-pyrazole-4-carboxylate is 140.06 g/mol.
Where can I buy ethyl 1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 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 1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.