Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate
TL;DR: Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate (CAS 1001567-64-1) is a chemical compound with molecular formula C9H13ClN2O2 and molecular weight 216.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetate
Also Known As: Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate, ethyl (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate, ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetate, ethyl 2-(4-chloro-3,5-dimethylpyrazolyl)acetate, ethyl 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)acetate
Technical Specifications
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.06656 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.06656 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | CCOC(=O)CN1C(=C(C(=N1)C)Cl)C |
| InChIKey | JNHZGVROTINHPC-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate
Property Insights of Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate. With a topological polar surface area (TPSA) of 44.1 Ų, Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-chloro-3,5-dimethyl-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
What is the CAS number of Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
The CAS number of Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate is 1001567-64-1.
What is the molecular formula of Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
The molecular formula of Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate is C9H13ClN2O2.
What is the molecular weight of Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
The molecular weight of Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate is 216.06656 g/mol.
Where can I buy Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
You can request a quote for Ethyl 2-(4-chloro-3,5-dimethyl-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 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.