![3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid structure](/static/products/100/1004643-62-2.webp)
3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid
TL;DR: 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid (CAS 1004643-62-2) is a chemical compound with molecular formula C12H9F3N2O2 and molecular weight 270.0616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid
Also Known As: 3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid, 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic Acid, ethyl p-nitrophenyl l-trans-epoxysuccinate, 3-([3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl)benzoic acid, 3-{[3-(trifluoromethyl)pyrazolyl]methyl}benzoic acid
Technical Specifications
| Molecular Formula | C12H9F3N2O2 |
| Molecular Weight | 270.0616 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0616 Da |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C=CC(=N2)C(F)(F)F |
| InChIKey | IYMPJPDKJCWPQM-UHFFFAOYSA-N |
Chemical Property Profile of 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid
Property Insights of 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-[[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, 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid?
The CAS number of 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid is 1004643-62-2.
What is the molecular formula of 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid?
The molecular formula of 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid is C12H9F3N2O2.
What is the molecular weight of 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid?
The molecular weight of 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid is 270.0616 g/mol.
Where can I buy 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid?
You can request a quote for 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.