ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate
TL;DR: ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate (CAS 10199-58-3) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dimethylpyrazole-1-carboxylate
Also Known As: ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate, ethyl 3,5-dimethylpyrazole-1-carboxylate, J1.024.322J, 3,5-Dimethyl-1H-pyrazole-1-carboxylic acid ethyl ester
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.50454 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 291.24802 |
Chemical Identifiers
| CAS Number | 10199-58-3 |
|---|---|
| SMILES | CCOC(=O)N1C(=CC(=N1)C)C |
Product Overview
ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate (CAS 10199-58-3), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: ethyl 3,5-dimethylpyrazole-1-carboxylate.
Chemical Property Profile of ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate
Property Insights of ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate
The XLogP value of 1.50454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate 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 3,5-dimethyl-1H-pyrazole-1-carboxylate?
The CAS number of ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate is 10199-58-3.
What is the molecular formula of ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate?
The molecular formula of ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate is C8H12N2O2.
What is the molecular weight of ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate?
The molecular weight of ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate is 168.09 g/mol.
Where can I buy ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate?
You can request a quote for ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.