4-Bromo-1H-pyrazole-3-carboxylic acid
TL;DR: 4-Bromo-1H-pyrazole-3-carboxylic acid (CAS 1396967-25-1) is a chemical compound with molecular formula C4H3BrN2O2 and molecular weight 189.93779 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1H-pyrazole-5-carboxylic acid
Also Known As: 4-bromo-1H-pyrazole-3-carboxylic acid, 4-bromo-1H-pyrazole-5-carboxylic acid, fumaricacid, null, 4-bromopyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C4H3BrN2O2 |
| Molecular Weight | 189.93779 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.93779 Da |
| Heavy Atoms | 9 |
| Complexity | 130.0 |
| SMILES | C1=NNC(=C1Br)C(=O)O |
| InChIKey | QISOBCMNUJQOJU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-1H-pyrazole-3-carboxylic acid
Property Insights of 4-Bromo-1H-pyrazole-3-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1H-pyrazole-3-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Bromo-1H-pyrazole-3-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 4-Bromo-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-Bromo-1H-pyrazole-3-carboxylic acid is 1396967-25-1.
What is the molecular formula of 4-Bromo-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Bromo-1H-pyrazole-3-carboxylic acid is C4H3BrN2O2.
What is the molecular weight of 4-Bromo-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Bromo-1H-pyrazole-3-carboxylic acid is 189.93779 g/mol.
Where can I buy 4-Bromo-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Bromo-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.