5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid

C21H18F3N3O3 — CID 2812273

IUPAC5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)18-10-11-27(26-18)17-8-6-16(7-9-17)25-19(28)12-15(13-20(29)30)14-4-2-1-3-5-14/h1-11,15H,12-13H2,(H,25,28)(H,29,30)
InChIKeyGHAINZBBGUFURP-UHFFFAOYSA-N
MW417.39 g/mol
LogP4.48
Rot. Bonds7

About 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid

5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid (PubChem CID 2812273) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid
PubChem CID2812273
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)18-10-11-27(26-18)17-8-6-16(7-9-17)25-19(28)12-15(13-20(29)30)14-4-2-1-3-5-14/h1-11,15H,12-13H2,(H,25,28)(H,29,30)
InChIKeyGHAINZBBGUFURP-UHFFFAOYSA-N
XLogP4.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-oxo-5-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]anilino}pentanoic acid
CID 2812271
2-({4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]anilino}carbonyl)benzoic acid
CID 2809260
2-[4-[4-[3-[[1-(4-Methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoylamino]phenyl]cyclohexyl]acetic acid
CID 117920154
trans-[4-(4-{3-[(1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)amino]propionylamino}phenyl)cyclohexyl]acetic acid
CID 117920158
(R)-2-[(R)-2-(Carboxymethyl-carbamoyl)-3-(4-pyrazol-1-yl-phenyl)-propyl]-hexanoic acid
CID 44375007
US9938222, Example 128
CID 130386924
9-(3-Benzhydrylpyrazol-1-yl)nonanoic acid
CID 10408084
9-(5-Benzhydrylpyrazol-1-yl)nonanoic acid
CID 11741141
2-[3-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484386
5-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]-5-oxopentanoic acid
CID 26743424
2-[1-[2-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 40777675
N-(1,3-diphenylpyrazol-4-yl)-11-hydroxyundecanamide
CID 46889275

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid?
The IUPAC name of 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid (CID 2812273) is 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid?
The canonical SMILES for 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid is O=C(O)CC(CC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1.
What is the InChIKey of 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid?
The InChIKey is GHAINZBBGUFURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c22-21(23,24)18-10-11-27(26-18)17-8-6-16(7-9-17)25-19(28)12-15(13-20(29)30)14-4-2-1-3-5-14/h1-11,15H,12-13H2,(H,25,28)(H,29,30).
What are the key properties of 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid?
5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid has a molecular weight of 417.39 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid is sourced from PubChem (CID 2812273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).