1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid
TL;DR: 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid (CAS 134778-24-8) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzylpyrazole-3,5-dicarboxylic acid
Also Known As: 1-BENZYL-1H-PYRAZOLE-3,5-DICARBOXYLIC ACID, 1-benzylpyrazole-3,5-dicarboxylic Acid, 1H-Pyrazole-3,5-dicarboxylic acid, 1-(phenylmethyl)-
Technical Specifications
| Molecular Formula | C12H10N2O4 |
| Molecular Weight | 246.06406 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.06406 Da |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)O)C(=O)O |
| InChIKey | CNEVJOOKMFYKCN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid
Property Insights of 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid. Following Lipinski's Rule of Five, 1-Benzyl-1H-pyrazole-3,5-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-Benzyl-1H-pyrazole-3,5-dicarboxylic acid?
The CAS number of 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid is 134778-24-8.
What is the molecular formula of 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid?
The molecular formula of 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid is C12H10N2O4.
What is the molecular weight of 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid?
The molecular weight of 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid is 246.06406 g/mol.
Where can I buy 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid?
You can request a quote for 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-1H-pyrazole-3,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.