2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid

C23H21F3N2O5 — CID 67548238

IUPAC2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(CC(=O)OCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1)C(=O)O
InChIInChI=1S/C23H21F3N2O5/c1-22(2,21(30)31)33-19-9-3-15(4-10-19)11-20(29)32-14-16-12-27-28(13-16)18-7-5-17(6-8-18)23(24,25)26/h3-10,12-13H,11,14H2,1-2H3,(H,30,31)
InChIKeyUXOUWMMMHOHUHR-UHFFFAOYSA-N
MW462.42 g/mol
LogP4.42
Rot. Bonds8

About 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid

2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid (PubChem CID 67548238) has the molecular formula C23H21F3N2O5 and a molecular weight of 462.42 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid
PubChem CID67548238
Molecular FormulaC23H21F3N2O5
Molecular Weight462.42 g/mol
Exact Mass462.14
IUPAC Name2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(CC(=O)OCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1)C(=O)O
InChIInChI=1S/C23H21F3N2O5/c1-22(2,21(30)31)33-19-9-3-15(4-10-19)11-20(29)32-14-16-12-27-28(13-16)18-7-5-17(6-8-18)23(24,25)26/h3-10,12-13H,11,14H2,1-2H3,(H,30,31)
InChIKeyUXOUWMMMHOHUHR-UHFFFAOYSA-N
XLogP4.42
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid (CID 67548238) is 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid is CC(C)(Oc1ccc(CC(=O)OCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid?
The InChIKey is UXOUWMMMHOHUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5/c1-22(2,21(30)31)33-19-9-3-15(4-10-19)11-20(29)32-14-16-12-27-28(13-16)18-7-5-17(6-8-18)23(24,25)26/h3-10,12-13H,11,14H2,1-2H3,(H,30,31).
What are the key properties of 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid?
2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid has a molecular weight of 462.42 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-oxo-2-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]ethyl]phenoxy]propanoic acid is sourced from PubChem (CID 67548238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).