![3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid structure](/static/products/841/84138-75-0.png)
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
TL;DR: 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid (CAS 84138-75-0) is a chemical compound with molecular formula C8H9F3N2O2 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
Also Known As: 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid, 3-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-propionic acid, 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid, BAS 13532602, 3-(5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)propanoic acid
| Molecular Formula | C8H9F3N2O2 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.68502 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.06161 |
| Heavy Atoms | 15 |
| Complexity | 370.45395 |
Chemical Identifiers
| CAS Number | 84138-75-0 |
|---|---|
| SMILES | CC1=CC(=NN1CCC(=O)O)C(F)(F)F |
Product Overview
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid (CAS 84138-75-0), with molecular formula C8H9F3N2O2 and molecular weight 222.06 g/mol. IUPAC: 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
Chemical Property Profile of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
Property Insights of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
The XLogP value of 1.68502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic 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-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
The CAS number of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is 84138-75-0.
What is the molecular formula of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
The molecular formula of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is C8H9F3N2O2.
What is the molecular weight of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
The molecular weight of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is 222.06 g/mol.
Where can I buy 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
You can request a quote for 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.