1,5-Dimethyl-3-ethoxycarbonylpyrazole
TL;DR: 1,5-Dimethyl-3-ethoxycarbonylpyrazole (CAS 351003-60-6) 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 1,5-dimethylpyrazole-3-carboxylate
Also Known As: ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate, ethyl 1,5-dimethylpyrazole-3-carboxylate, 1,5-dimethyl-3-ethoxycarbonylpyrazole, Maybridge1_008890, 1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-, ethyl ester
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 351003-60-6 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1)C)C |
| InChIKey | OJPXVXXMBWKEAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dimethyl-3-ethoxycarbonylpyrazole (CAS 351003-60-6), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: ethyl 1,5-dimethylpyrazole-3-carboxylate.
Chemical Property Profile of 1,5-Dimethyl-3-ethoxycarbonylpyrazole
Property Insights of 1,5-Dimethyl-3-ethoxycarbonylpyrazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl-3-ethoxycarbonylpyrazole. With a topological polar surface area (TPSA) of 44.1 Ų, 1,5-Dimethyl-3-ethoxycarbonylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl-3-ethoxycarbonylpyrazole 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 1,5-Dimethyl-3-ethoxycarbonylpyrazole?
The CAS number of 1,5-Dimethyl-3-ethoxycarbonylpyrazole is 351003-60-6.
What is the molecular formula of 1,5-Dimethyl-3-ethoxycarbonylpyrazole?
The molecular formula of 1,5-Dimethyl-3-ethoxycarbonylpyrazole is C8H12N2O2.
What is the molecular weight of 1,5-Dimethyl-3-ethoxycarbonylpyrazole?
The molecular weight of 1,5-Dimethyl-3-ethoxycarbonylpyrazole is 168.09 g/mol.
Where can I buy 1,5-Dimethyl-3-ethoxycarbonylpyrazole?
You can request a quote for 1,5-Dimethyl-3-ethoxycarbonylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-3-ethoxycarbonylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-3-ethoxycarbonylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.