2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

C21H19F3N4O3 — CID 11743514

IUPAC2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)C(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C21H19F3N4O3/c1-12(19(30)26-17-11-16(27-28-17)13-5-3-2-4-6-13)25-20(31)18(29)14-7-9-15(10-8-14)21(22,23)24/h2-12,18,29H,1H3,(H,25,31)(H2,26,27,28,30)
InChIKeyRNDKTITZRIIVDV-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.27
Rot. Bonds6

About 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (PubChem CID 11743514) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
PubChem CID11743514
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)C(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C21H19F3N4O3/c1-12(19(30)26-17-11-16(27-28-17)13-5-3-2-4-6-13)25-20(31)18(29)14-7-9-15(10-8-14)21(22,23)24/h2-12,18,29H,1H3,(H,25,31)(H2,26,27,28,30)
InChIKeyRNDKTITZRIIVDV-UHFFFAOYSA-N
XLogP3.27
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-methylbenzamide
CID 46911328
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]butanamide
CID 9998111
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide
CID 10024652
N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 10026252
2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 10027623
2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 10047400
2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
CID 10318784
2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
CID 10339856
methyl 3-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-4-oxo-4-[(5-phenyl-1H-pyrazol-3-yl)amino]butanoate
CID 10344130
N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide
CID 10364579
benzyl 3-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-4-oxo-4-[(5-phenyl-1H-pyrazol-3-yl)amino]butanoate
CID 10369849
N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanamide
CID 10387972

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (CID 11743514) is 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is CC(NC(=O)C(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is RNDKTITZRIIVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-12(19(30)26-17-11-16(27-28-17)13-5-3-2-4-6-13)25-20(31)18(29)14-7-9-15(10-8-14)21(22,23)24/h2-12,18,29H,1H3,(H,25,31)(H2,26,27,28,30).
What are the key properties of 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 432.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 11743514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).