3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid (CAS 1037690-42-8) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid, 5-(2,4,5-Trimethylphenyl)-1H-pyrazole-3-carboxylic acid, 5-(2,4,5-trimethylphenyl)-2H-pyrazole-3-carboxylic Acid, F1967-0145, 5-(2,4,5-Trimethyl-phenyl)-1H-pyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.10553 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.10553 Da |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
| SMILES | CC1=CC(=C(C=C1C)C2=NNC(=C2)C(=O)O)C |
| InChIKey | MXSQCTXNKKEECE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid is 1037690-42-8.
What is the molecular formula of 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid is C13H14N2O2.
What is the molecular weight of 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid is 230.10553 g/mol.
Where can I buy 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(2,4,5-trimethylphenyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.