1-Butyl-1h-pyrazole-4-carboxylic acid
TL;DR: 1-Butyl-1h-pyrazole-4-carboxylic acid (CAS 113100-43-9) 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.
1-butylpyrazole-4-carboxylic acid
Also Known As: 1-butyl-1h-pyrazole-4-carboxylic acid, 1-butylpyrazole-4-carboxylic Acid
Technical Specifications
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.08987 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.08987 Da |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
| SMILES | CCCCN1C=C(C=N1)C(=O)O |
| InChIKey | MBIUCJBODNXVHC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyl-1h-pyrazole-4-carboxylic acid
Property Insights of 1-Butyl-1h-pyrazole-4-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-1h-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Butyl-1h-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-1h-pyrazole-4-carboxylic acid has 1 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 1-Butyl-1h-pyrazole-4-carboxylic acid?
The CAS number of 1-Butyl-1h-pyrazole-4-carboxylic acid is 113100-43-9.
What is the molecular formula of 1-Butyl-1h-pyrazole-4-carboxylic acid?
The molecular formula of 1-Butyl-1h-pyrazole-4-carboxylic acid is C8H12N2O2.
What is the molecular weight of 1-Butyl-1h-pyrazole-4-carboxylic acid?
The molecular weight of 1-Butyl-1h-pyrazole-4-carboxylic acid is 168.08987 g/mol.
Where can I buy 1-Butyl-1h-pyrazole-4-carboxylic acid?
You can request a quote for 1-Butyl-1h-pyrazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-1h-pyrazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-1h-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.