5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid (CAS 852816-01-4) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid, 3-(4-tert-butylphenyl)-1H-pyrazole-5-carboxylic acid, 5-(4-(tert-Butyl)phenyl)-1H-pyrazole-3-carboxylic acid, 5-(4-t-Butyl-phenyl)-1H-pyrazole-3-carboxylic acid, 5-(4-tert-butylphenyl)-2H-pyrazole-3-carboxylic Acid
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 3.0724 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 562.2251 |
Chemical Identifiers
| CAS Number | 852816-01-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O |
Product Overview
5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid (CAS 852816-01-4), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 3-(4-tert-butylphenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 3.0724 indicates that 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid has 2 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-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid is 852816-01-4.
What is the molecular formula of 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid is C14H16N2O2.
What is the molecular weight of 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid is 244.12 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-(4-tert-butylphenyl)-1H-pyrazole-3-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-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.