ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate
TL;DR: ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate (CAS 1004644-11-4) is a chemical compound with molecular formula C8H10ClN3O4 and molecular weight 247.03598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(4-chloro-3-nitropyrazol-1-yl)propanoate
Also Known As: ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate, ethyl 3-(4-chloro-3-nitropyrazol-1-yl)propanoate, 3-(4-Chloro-3-nitro-pyrazol-1-yl)-propionic acid ethyl ester, ethyl 3-(4-chloro-3-nitropyrazolyl)propanoate, ethyl 3-(4-chloro-3-nitro-pyrazol-1-yl)propanoate
Technical Specifications
| Molecular Formula | C8H10ClN3O4 |
| Molecular Weight | 247.03598 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.03598 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | CCOC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])Cl |
| InChIKey | GOLKUBAJTISWNS-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate
Property Insights of ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate. Following Lipinski's Rule of Five, ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate?
The CAS number of ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate is 1004644-11-4.
What is the molecular formula of ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate?
The molecular formula of ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate is C8H10ClN3O4.
What is the molecular weight of ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate?
The molecular weight of ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate is 247.03598 g/mol.
Where can I buy ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate?
You can request a quote for ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.