1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid
TL;DR: 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid (CAS 956786-73-5) is a chemical compound with molecular formula C21H21ClN2O2 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methylpyrazole-4-carboxylic acid
Also Known As: 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid, 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methylpyrazole-4-carboxylic acid, 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylic Acid
| Molecular Formula | C21H21ClN2O2 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 5.54192 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.12915 |
| Heavy Atoms | 26 |
| Complexity | 912.4342 |
Chemical Identifiers
| CAS Number | 956786-73-5 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)O)C3=CC=C(C=C3)Cl |
Product Overview
1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid (CAS 956786-73-5), with molecular formula C21H21ClN2O2 and molecular weight 368.13 g/mol. IUPAC: 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methylpyrazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid
Property Insights of 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 5.54192 indicates that 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid is 956786-73-5.
What is the molecular formula of 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid is C21H21ClN2O2.
What is the molecular weight of 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid is 368.13 g/mol.
Where can I buy 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-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 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.