4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid
TL;DR: 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid (CAS 127198-67-8) is a chemical compound with molecular formula C6H7BrN2O2 and molecular weight 217.96909 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1,5-dimethylpyrazole-3-carboxylic acid
Also Known As: 4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid, 2-hydroxymethylphenanthrene, 4-bromo-1,5-dimethylpyrazole-3-carboxylic acid, 4-bromo-1,5-dimethyl-pyrazole-3-carboxylic Acid, 5951AE
Technical Specifications
| Molecular Formula | C6H7BrN2O2 |
| Molecular Weight | 217.96909 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.96909 Da |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
| SMILES | CC1=C(C(=NN1C)C(=O)O)Br |
| InChIKey | HYGZWJRDMQFLCD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid
Property Insights of 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1,5-dimethyl-1H-pyrazole-3-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 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid is 127198-67-8.
What is the molecular formula of 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid is C6H7BrN2O2.
What is the molecular weight of 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid is 217.96909 g/mol.
Where can I buy 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Bromo-1,5-dimethyl-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-1,5-dimethyl-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.