4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid (CAS 128537-60-0) is a chemical compound with molecular formula C9H13BrN2O2 and molecular weight 260.01605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1-tert-butyl-3-methylpyrazole-5-carboxylic acid
Also Known As: 4-BROMO-1-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID, 3,4-Dimethoxy-5-nitro-benazldehyde, 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid, 4-bromo-2-tert-butyl-5-methylpyrazole-3-carboxylic acid, 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-(1,1-dimethylethyl)-3-methyl-
Technical Specifications
| Molecular Formula | C9H13BrN2O2 |
| Molecular Weight | 260.01605 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.01605 Da |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
| SMILES | CC1=NN(C(=C1Br)C(=O)O)C(C)(C)C |
| InChIKey | NFYDYPPBOBZBRB-UHFFFAOYSA-N |
Chemical Property Profile of 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-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-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid is 128537-60-0.
What is the molecular formula of 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid is C9H13BrN2O2.
What is the molecular weight of 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid is 260.01605 g/mol.
Where can I buy 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-bromo-1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.