4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid (CAS 175276-99-0) is a chemical compound with molecular formula C7H9BrN2O2 and molecular weight 231.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-ethyl-3-methylpyrazole-5-carboxylic acid
Also Known As: 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid, Maybridge1_008578, 4-bromo-2-ethyl-5-methylpyrazole-3-carboxylic acid, 4-bromo-1-ethyl-3-methylpyrazole-5-carboxylic acid, 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-methyl-
| Molecular Formula | C7H9BrN2O2 |
|---|---|
| Molecular Weight | 231.98 g/mol |
| LogP | 1.67212 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.98474 |
| Heavy Atoms | 12 |
| Complexity | 319.45145 |
Chemical Identifiers
| CAS Number | 175276-99-0 |
|---|---|
| SMILES | CCN1C(=C(C(=N1)C)Br)C(=O)O |
Product Overview
4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid (CAS 175276-99-0), with molecular formula C7H9BrN2O2 and molecular weight 231.98 g/mol. IUPAC: 4-bromo-1-ethyl-3-methylpyrazole-5-carboxylic acid.
Chemical Property Profile of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.67212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 4-Bromo-1-ethyl-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-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid is 175276-99-0.
What is the molecular formula of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid is C7H9BrN2O2.
What is the molecular weight of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid is 231.98 g/mol.
Where can I buy 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.