3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid (CAS 890621-06-4) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 5-(2,5-Dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid, Preisocalamendiol, 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid, 2,6-Heptadienenitrile, 5-(2,5-Dimethoxy-phenyl)-2H-pyrazole-3-carboxylic acid
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.7921 |
| Topological Polar Surface Area | 84.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 577.2064 |
Chemical Identifiers
| CAS Number | 890621-06-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C(=O)O |
Product Overview
3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid (CAS 890621-06-4), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.7921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid. The TPSA of 84.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid is 890621-06-4.
What is the molecular formula of 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid is C12H12N2O4.
What is the molecular weight of 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid is 248.08 g/mol.
Where can I buy 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.