1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid
TL;DR: 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid (CAS 165676-63-1) is a chemical compound with molecular formula C17H12N2O4 and molecular weight 308.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diphenylpyrazole-4,5-dicarboxylic acid
Also Known As: 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid, 2,5-diphenylpyrazole-3,4-dicarboxylic acid, diphenyl-1H-pyrazole-4,5-dicarboxylic acid, 2,5-Diphenyl-2H-pyrazole-3,4-dicarboxylic acid, 1,3-Diphenyl-1H-pyrazole-4,5-dicarboxylicacid
Technical Specifications
| Molecular Formula | C17H12N2O4 |
| Molecular Weight | 308.0797 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0797 Da |
| Heavy Atoms | 23 |
| Complexity | 444.0 |
| SMILES | C1=CC=C(C=C1)C2=NN(C(=C2C(=O)O)C(=O)O)C3=CC=CC=C3 |
| InChIKey | WERNQSNSNVDBBJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid
Property Insights of 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid. Following Lipinski's Rule of Five, 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid?
The CAS number of 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid is 165676-63-1.
What is the molecular formula of 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid?
The molecular formula of 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid is C17H12N2O4.
What is the molecular weight of 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid?
The molecular weight of 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid is 308.0797 g/mol.
Where can I buy 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid?
You can request a quote for 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.