3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (CAS 618102-90-2) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
Also Known As: SALOR-INT L323691-1EA, 3-(4-ISOBUTYLPHENYL)-1-P-TOLYL-1H-PYRAZOLE-5-CARBOXYLIC ACID, 3-(4-Isobutylphenyl)-1-(p-tolyl)-1H-pyrazole-5-carboxylic acid, 2-(4-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carboxylic Acid, 3-(4-ISOBUTYLPHENYL)-1-(4-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 4.74442 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 875.26447 |
Chemical Identifiers
| CAS Number | 618102-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)CC(C)C)C(=O)O |
Product Overview
3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (CAS 618102-90-2), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid.
Chemical Property Profile of 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 4.74442 indicates that 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-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, 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-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 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid is 618102-90-2.
What is the molecular formula of 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid is C21H22N2O2.
What is the molecular weight of 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid is 334.17 g/mol.
Where can I buy 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-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 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Isobutylphenyl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.