5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
TL;DR: 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid (CAS 54367-66-7) is a chemical compound with molecular formula C5H5ClN2O2 and molecular weight 160.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methylpyrazole-4-carboxylic acid
Also Known As: 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid, 5-chloro-1-methylpyrazole-4-carboxylic acid, 5-chloro-1-methyl-pyrazole-4-carboxylic Acid, (R)-2-Phenyl-3-methylbutanoic acid, 4-Carboxy-5-chloro-1-methyl-1H-pyrazole
| Molecular Formula | C5H5ClN2O2 |
|---|---|
| Molecular Weight | 160.00 g/mol |
| LogP | 0.7717 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.00395 |
| Heavy Atoms | 10 |
| Complexity | 268.6117 |
Chemical Identifiers
| CAS Number | 54367-66-7 |
|---|---|
| SMILES | CN1C(=C(C=N1)C(=O)O)Cl |
Product Overview
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid (CAS 54367-66-7), with molecular formula C5H5ClN2O2 and molecular weight 160.00 g/mol. IUPAC: 5-chloro-1-methylpyrazole-4-carboxylic acid.
Chemical Property Profile of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
Property Insights of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 0.7717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1-methyl-1H-pyrazole-4-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 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid is 54367-66-7.
What is the molecular formula of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid is C5H5ClN2O2.
What is the molecular weight of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid is 160.00 g/mol.
Where can I buy 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.