3-tert-butyl-1H-pyrazole-5-carboxylic acid
TL;DR: 3-tert-butyl-1H-pyrazole-5-carboxylic acid (CAS 1258323-01-1) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-1H-pyrazole-3-carboxylic acid
Also Known As: 3-tert-butyl-1H-pyrazole-5-carboxylic acid, 5-tert-butyl-1H-pyrazole-3-carboxylic acid, 5-tert-Butyl-2H-pyrazole-3-carboxylic acid, 3-(tert-Butyl)-1H-pyrazole-5-carboxylic acid, 5,6-Diethylthiomorpholin-3-one
Technical Specifications
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.08987 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.08987 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | CC(C)(C)C1=CC(=NN1)C(=O)O |
| InChIKey | RQRWZFJMPKHYIC-UHFFFAOYSA-N |
Chemical Property Profile of 3-tert-butyl-1H-pyrazole-5-carboxylic acid
Property Insights of 3-tert-butyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-butyl-1H-pyrazole-5-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-tert-butyl-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-tert-butyl-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-tert-butyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-tert-butyl-1H-pyrazole-5-carboxylic acid is 1258323-01-1.
What is the molecular formula of 3-tert-butyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-tert-butyl-1H-pyrazole-5-carboxylic acid is C8H12N2O2.
What is the molecular weight of 3-tert-butyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-tert-butyl-1H-pyrazole-5-carboxylic acid is 168.08987 g/mol.
Where can I buy 3-tert-butyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-tert-butyl-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-tert-butyl-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-tert-butyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.