1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS 245035-72-7) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxylic acid
Also Known As: 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid, 5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxylic Acid, 5-methyl-2-(p-tolylmethyl)pyrazole-3-carboxylic acid, 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylicacid, 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid, AldrichCPR
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.24644 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 541.0471 |
Chemical Identifiers
| CAS Number | 245035-72-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=CC(=N2)C)C(=O)O |
Product Overview
1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS 245035-72-7), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 2.24644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(4-Methylbenzyl)-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-Methylbenzyl)-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-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid is 245035-72-7.
What is the molecular formula of 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid is C13H14N2O2.
What is the molecular weight of 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid is 230.11 g/mol.
Where can I buy 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-(4-Methylbenzyl)-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-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.