3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (CAS 885-46-1) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4-methylphenyl)pyrazole-3-carboxylic acid
Also Known As: 3-methyl-1-p-tolyl-1h-pyrazole-5-carboxylic acid, 3-methyl-1-(4-methylphenyl)-1h-pyrazole-5-carboxylic acid, 5-Methyl-2-p-tolyl-2H-pyrazole-3-carboxylic acid, 5-methyl-2-(4-methylphenyl)pyrazole-3-carboxylic Acid, 3-Methyl-1-(p-tolyl)-1H-pyrazole-5-carboxylic acid
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.18734 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 526.45184 |
Chemical Identifiers
| CAS Number | 885-46-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=N2)C)C(=O)O |
Product Overview
3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (CAS 885-46-1), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 5-methyl-2-(4-methylphenyl)pyrazole-3-carboxylic acid.
Chemical Property Profile of 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 2.18734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-Methyl-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-Methyl-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-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid is 885-46-1.
What is the molecular formula of 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid is C12H12N2O2.
What is the molecular weight of 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid is 216.09 g/mol.
Where can I buy 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-Methyl-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-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.