4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 883512-41-2) is a chemical compound with molecular formula C5H5BrN2O2 and molecular weight 203.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methylpyrazole-5-carboxylic acid
Also Known As: 4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid, 4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid, zlchem 596, 4-bromo-2-methylpyrazole-3-carboxylic acid, TimTec1_000450
| Molecular Formula | C5H5BrN2O2 |
|---|---|
| Molecular Weight | 203.95 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.95345 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 883512-41-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)Br)C(=O)O |
| InChIKey | YXIJCAVZGBGUKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 883512-41-2), with molecular formula C5H5BrN2O2 and molecular weight 203.95 g/mol. IUPAC: 4-bromo-1-methylpyrazole-5-carboxylic acid.
Chemical Property Profile of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Bromo-1-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-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
Frequently Asked Questions
What is the CAS number of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid is 883512-41-2.
What is the molecular formula of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid is C5H5BrN2O2.
What is the molecular weight of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid is 203.95 g/mol.
Where can I buy 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 4-Bromo-1-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-methyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.