![4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid structure](/static/products/512/512809-91-5.png)
4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
TL;DR: 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid (CAS 512809-91-5) is a chemical compound with molecular formula C13H11F3N2O2 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid
Also Known As: BAS 08302728, 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid, 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid, 4-(5-Methyl-3-trifluoromethyl-pyrazol-1-ylmethyl)-benzoic acid, 4-{[5-methyl-3-(trifluoromethyl)pyrazolyl]methyl}benzoic acid
| Molecular Formula | C13H11F3N2O2 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.95682 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.07727 |
| Heavy Atoms | 20 |
| Complexity | 630.0561 |
Chemical Identifiers
| CAS Number | 512809-91-5 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)O)C(F)(F)F |
Product Overview
4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid (CAS 512809-91-5), with molecular formula C13H11F3N2O2 and molecular weight 284.08 g/mol. IUPAC: 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid.
Chemical Property Profile of 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Property Insights of 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
The XLogP value of 2.95682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic 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 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
The CAS number of 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid is 512809-91-5.
What is the molecular formula of 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
The molecular formula of 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid is C13H11F3N2O2.
What is the molecular weight of 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
The molecular weight of 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid is 284.08 g/mol.
Where can I buy 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
You can request a quote for 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.