3,5-dimethyl-1H-pyrazole-4-carboxylic acid
TL;DR: 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (CAS 135108-88-2) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Also Known As: 3,5-Dimethyl-1H-pyrazole-4-carboxylic Acid, null, 3,5-dimethylpyrazole-4-carboxylic acid, Pyrazole carboxylic acid 1, 1H-PYRAZOLE-4-CARBOXYLIC ACID, 3,5-DIMETHYL-
Technical Specifications
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.05858 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.05858 Da |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
| SMILES | CC1=C(C(=NN1)C)C(=O)O |
| InChIKey | IOOWDXMXZBYKLR-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Property Insights of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-1H-pyrazole-4-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3,5-dimethyl-1H-pyrazole-4-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 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid is 135108-88-2.
What is the molecular formula of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid is C6H8N2O2.
What is the molecular weight of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid is 140.05858 g/mol.
Where can I buy 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 3,5-dimethyl-1H-pyrazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-dimethyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.