ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate
TL;DR: ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate (CAS 637022-63-0) is a chemical compound with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate
Also Known As: ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate, Ethyl 4-chloro-5-methylpyrazole-3-carboxylate, Ethyl 4-chloro-3-methyl-1H-pyrazole-5-carboxylate, 4-Chloro-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester, Ethyl 4-chloro-3-methyl-1H-pyrazole-5-carboxylate #
| Molecular Formula | C7H9ClN2O2 |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.03525 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 637022-63-0 |
|---|---|
| SMILES | CCOC(=O)C1=NNC(=C1Cl)C |
| InChIKey | YEUFDJAHBFUZMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate (CAS 637022-63-0), with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol. IUPAC: ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate
Property Insights of ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate 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 4-chloro-5-methyl-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate is 637022-63-0.
What is the molecular formula of ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate is C7H9ClN2O2.
What is the molecular weight of ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate is 188.04 g/mol.
Where can I buy ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.