1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
TL;DR: 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid (CAS 1030280-69-3) 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.
1-ethyl-3,5-dimethylpyrazole-4-carboxylic acid
Also Known As: 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid, 2-Acetylbenzothiophene, 1-ethyl-3,5-dimethylpyrazole-4-carboxylic acid, (4-FLUOROBENZYL)PROPYLAMINE, BAS 03395078
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.21804 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 315.1029 |
Chemical Identifiers
| CAS Number | 1030280-69-3 |
|---|---|
| SMILES | CCN1C(=C(C(=N1)C)C(=O)O)C |
Product Overview
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid (CAS 1030280-69-3), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 1-ethyl-3,5-dimethylpyrazole-4-carboxylic acid.
Chemical Property Profile of 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Property Insights of 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 1.21804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 2 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-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid is 1030280-69-3.
What is the molecular formula of 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid is C8H12N2O2.
What is the molecular weight of 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid is 168.09 g/mol.
Where can I buy 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.