ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate
TL;DR: ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate (CAS 955896-94-3) is a chemical compound with molecular formula C7H8ClN3O4 and molecular weight 233.02034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(4-chloro-3-nitropyrazol-1-yl)acetate
Also Known As: BAS 06331105, ethyl 2-(4-chloro-3-nitropyrazol-1-yl)acetate, ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate, ETHYL 2-(4-CHLORO-3-NITRO-1H-PYRAZOL-1-YL)ACETATE, (4-Chloro-3-nitro-pyrazol-1-yl)-acetic acid ethyl ester
Technical Specifications
| Molecular Formula | C7H8ClN3O4 |
| Molecular Weight | 233.02034 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.02034 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | CCOC(=O)CN1C=C(C(=N1)[N+](=O)[O-])Cl |
| InChIKey | PJYGVEZLPZKIHO-UHFFFAOYSA-N |
Chemical Property Profile of ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate
Property Insights of ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate 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 (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate?
The CAS number of ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate is 955896-94-3.
What is the molecular formula of ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate?
The molecular formula of ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate is C7H8ClN3O4.
What is the molecular weight of ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate?
The molecular weight of ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate is 233.02034 g/mol.
Where can I buy ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate?
You can request a quote for ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl (4-chloro-3-nitro-1H-pyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.