ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
TL;DR: ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate (CAS 696646-25-0) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
Also Known As: ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate, ChemDiv2_003322, J2.360.794H, ethyl 3-(3,5-dimethylpyrazol-4-yl)propanoate, 1H-pyrazole-4-propanoic acid, 3,5-dimethyl-, ethyl ester
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 1.52224 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 298.42194 |
Chemical Identifiers
| CAS Number | 696646-25-0 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(NN=C1C)C |
Product Overview
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate (CAS 696646-25-0), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate.
Chemical Property Profile of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
Property Insights of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
The XLogP value of 1.52224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate. With a topological polar surface area (TPSA) of 54.98 Ų, ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate 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 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The CAS number of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is 696646-25-0.
What is the molecular formula of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The molecular formula of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is C10H16N2O2.
What is the molecular weight of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The molecular weight of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is 196.12 g/mol.
Where can I buy ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
You can request a quote for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.