![3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid structure](/static/products/3259/325970-02-3.webp)
3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid
TL;DR: 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid (CAS 325970-02-3) is a chemical compound with molecular formula C12H9F3N2O2 and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetic acid
Also Known As: 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid, 2-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetic Acid, 2-(3-(3-(Trifluoromethyl)phenyl)-1H-pyrazol-1-yl)acetic acid, {3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-yl}acetic acid, {3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl}acetic acid
| Molecular Formula | C12H9F3N2O2 |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.6535 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0616 |
| Heavy Atoms | 19 |
| Complexity | 605.0171 |
Chemical Identifiers
| CAS Number | 325970-02-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=NN(C=C2)CC(=O)O |
Product Overview
3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid (CAS 325970-02-3), with molecular formula C12H9F3N2O2 and molecular weight 270.06 g/mol. IUPAC: 2-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetic acid.
Chemical Property Profile of 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid
Property Insights of 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid
The XLogP value of 2.6535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic 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-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid?
The CAS number of 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid is 325970-02-3.
What is the molecular formula of 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid?
The molecular formula of 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid is C12H9F3N2O2.
What is the molecular weight of 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid?
The molecular weight of 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid is 270.06 g/mol.
Where can I buy 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid?
You can request a quote for 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-1-ylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.