![ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate structure](/static/products/100/1004644-50-1.png)
ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
TL;DR: ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate (CAS 1004644-50-1) is a chemical compound with molecular formula C9H12F2N2O2 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate
Also Known As: ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate, Ethyl 2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetate, ethyl 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate, ethyl 2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate, (3-Difluoromethyl-5-methyl-pyrazol-1-yl)-acetic acid ethyl ester
| Molecular Formula | C9H12F2N2O2 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.69222 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.08669 |
| Heavy Atoms | 15 |
| Complexity | 349.8816 |
Chemical Identifiers
| CAS Number | 1004644-50-1 |
|---|---|
| SMILES | CCOC(=O)CN1C(=CC(=N1)C(F)F)C |
Product Overview
ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate (CAS 1004644-50-1), with molecular formula C9H12F2N2O2 and molecular weight 218.09 g/mol. IUPAC: ethyl 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate.
Chemical Property Profile of ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
Property Insights of ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
The XLogP value of 1.69222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate 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-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
The CAS number of ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate is 1004644-50-1.
What is the molecular formula of ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
The molecular formula of ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate is C9H12F2N2O2.
What is the molecular weight of ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
The molecular weight of ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate is 218.09 g/mol.
Where can I buy ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
You can request a quote for ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.