1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS 15943-84-7) is a chemical compound with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
Also Known As: 1-(4-chlorophenyl)-3-methyl-1h-pyrazole-5-carboxylic acid, 2-(4-chlorophenyl)-5-methylpyrazole-3-carboxylic acid, 2-(4-Chloro-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid, (3-amino-4-(trifluoromethyl)phenyl)methanol, 2-(4-chlorophenyl)-5-methyl-2h-pyrazole-3-carboxylic acid
| Molecular Formula | C11H9ClN2O2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.53232 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.03525 |
| Heavy Atoms | 16 |
| Complexity | 531.4176 |
Chemical Identifiers
| CAS Number | 15943-84-7 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(=O)O)C2=CC=C(C=C2)Cl |
Product Overview
1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS 15943-84-7), with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methylpyrazole-3-carboxylic acid.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 2.53232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-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 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid is 15943-84-7.
What is the molecular formula of 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid is C11H9ClN2O2.
What is the molecular weight of 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid is 236.04 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-(4-Chlorophenyl)-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 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.