2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

C20H19FN4O3 — CID 10339856

IUPAC2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)C(O)c1ccc(F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H19FN4O3/c1-12(22-20(28)18(26)14-7-9-15(21)10-8-14)19(27)23-17-11-16(24-25-17)13-5-3-2-4-6-13/h2-12,18,26H,1H3,(H,22,28)(H2,23,24,25,27)
InChIKeyJXBPCILYPIDALU-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.39
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (PubChem CID 10339856) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
PubChem CID10339856
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)C(O)c1ccc(F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H19FN4O3/c1-12(22-20(28)18(26)14-7-9-15(21)10-8-14)19(27)23-17-11-16(24-25-17)13-5-3-2-4-6-13/h2-12,18,26H,1H3,(H,22,28)(H2,23,24,25,27)
InChIKeyJXBPCILYPIDALU-UHFFFAOYSA-N
XLogP2.39
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (CID 10339856) is 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is CC(NC(=O)C(O)c1ccc(F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is JXBPCILYPIDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-12(22-20(28)18(26)14-7-9-15(21)10-8-14)19(27)23-17-11-16(24-25-17)13-5-3-2-4-6-13/h2-12,18,26H,1H3,(H,22,28)(H2,23,24,25,27).
What are the key properties of 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 382.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 10339856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).