![{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid structure](/static/products/875/875156-74-4.png)
{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid
TL;DR: {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid (CAS 875156-74-4) is a chemical compound with molecular formula C14H11F3N2O3 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetic acid
Also Known As: {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid, 2-(3,5-Dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)-2-oxoacetic acid, 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetic acid, [3,5-DIMETHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-4-YL](OXO)ACETIC ACID, 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetic acid
| Molecular Formula | C14H11F3N2O3 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.77524 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.07217 |
| Heavy Atoms | 22 |
| Complexity | 763.17896 |
Chemical Identifiers
| CAS Number | 875156-74-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)C(=O)O |
Product Overview
{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid (CAS 875156-74-4), with molecular formula C14H11F3N2O3 and molecular weight 312.07 g/mol. IUPAC: 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetic acid.
Chemical Property Profile of {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid
Property Insights of {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid
The XLogP value of 2.77524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid. Following Lipinski's Rule of Five, {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid has 1 hydrogen bond donor(s) and 3 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-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid?
The CAS number of {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid is 875156-74-4.
What is the molecular formula of {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid?
The molecular formula of {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid is C14H11F3N2O3.
What is the molecular weight of {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid?
The molecular weight of {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid is 312.07 g/mol.
Where can I buy {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid?
You can request a quote for {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic 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-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.