2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide

C23H24F2N4O2 — CID 10251870

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C23H24F2N4O2/c1-3-7-20(26-22(30)13-16-11-17(24)14-18(25)12-16)23(31)27-21-10-15(2)29(28-21)19-8-5-4-6-9-19/h4-6,8-12,14,20H,3,7,13H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeyUWKLMXCEQYIQRX-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.93
Rot. Bonds8

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide (PubChem CID 10251870) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
PubChem CID10251870
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C23H24F2N4O2/c1-3-7-20(26-22(30)13-16-11-17(24)14-18(25)12-16)23(31)27-21-10-15(2)29(28-21)19-8-5-4-6-9-19/h4-6,8-12,14,20H,3,7,13H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeyUWKLMXCEQYIQRX-UHFFFAOYSA-N
XLogP3.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]imidazol-1-yl]butanoic acid
CID 142780612
(2S)-N-[1-[2-[benzyl(methyl)amino]ethyl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91613314
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(1-phenylethylamino)propan-2-yl]imidazol-4-yl]pentanamide
CID 11497153
N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 11385090
3-[6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-3-pyridinyl]prop-2-enoic acid
CID 142997608
N-(1-benzylimidazol-4-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide;1-benzyl-4-nitroimidazole
CID 158918922
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
CID 86598115
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide
CID 70343842
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-oxoprop-1-enyl)-2-pyridinyl]pentanamide
CID 90764008
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide
CID 11475949
N-[5-[3-(benzylamino)butyl]-2-pyridinyl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide;2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoic acid
CID 158293172
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide
CID 11407422

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide (CID 10251870) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C)n(-c2ccccc2)n1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide?
The InChIKey is UWKLMXCEQYIQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-3-7-20(26-22(30)13-16-11-17(24)14-18(25)12-16)23(31)27-21-10-15(2)29(28-21)19-8-5-4-6-9-19/h4-6,8-12,14,20H,3,7,13H2,1-2H3,(H,26,30)(H,27,28,31).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide has a molecular weight of 426.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 10251870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).