ethyl 3-(1H-pyrazol-1-yl)propanoate
TL;DR: ethyl 3-(1H-pyrazol-1-yl)propanoate (CAS 853270-73-2) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-pyrazol-1-ylpropanoate
Also Known As: ethyl 3-(1H-pyrazol-1-yl)propanoate, ETHYL 3-(PYRAZOL-1-YL)PROPANOATE, ethyl 3-pyrazolylpropanoate, ethyl 3-pyrazol-1-ylpropanoate, 1H-Pyrazole-1-propanoic acid, ethyl ester
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 853270-73-2 |
|---|---|
| SMILES | CCOC(=O)CCN1C=CC=N1 |
| InChIKey | CWWSOMWSAZWPOM-UHFFFAOYSA-N |
Product Overview
ethyl 3-(1H-pyrazol-1-yl)propanoate (CAS 853270-73-2), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: ethyl 3-pyrazol-1-ylpropanoate.
Chemical Property Profile of ethyl 3-(1H-pyrazol-1-yl)propanoate
Property Insights of ethyl 3-(1H-pyrazol-1-yl)propanoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(1H-pyrazol-1-yl)propanoate. With a topological polar surface area (TPSA) of 44.1 Ų, ethyl 3-(1H-pyrazol-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(1H-pyrazol-1-yl)propanoate has 0 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 3-(1H-pyrazol-1-yl)propanoate?
The CAS number of ethyl 3-(1H-pyrazol-1-yl)propanoate is 853270-73-2.
What is the molecular formula of ethyl 3-(1H-pyrazol-1-yl)propanoate?
The molecular formula of ethyl 3-(1H-pyrazol-1-yl)propanoate is C8H12N2O2.
What is the molecular weight of ethyl 3-(1H-pyrazol-1-yl)propanoate?
The molecular weight of ethyl 3-(1H-pyrazol-1-yl)propanoate is 168.09 g/mol.
Where can I buy ethyl 3-(1H-pyrazol-1-yl)propanoate?
You can request a quote for ethyl 3-(1H-pyrazol-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(1H-pyrazol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(1H-pyrazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.