5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one

C20H19N3O3 — CID 139467369

IUPAC5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one
SMILESCC(=O)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1
InChIInChI=1S/C20H19N3O3/c1-14-18(10-21-23(14)11-16-6-4-3-5-7-16)19(25)13-22-12-17(15(2)24)8-9-20(22)26/h3-10,12H,11,13H2,1-2H3
InChIKeyACCGFIGFAINOBE-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.49
Rot. Bonds6

About 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one

5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 139467369) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one
PubChem CID139467369
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one
SMILESCC(=O)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1
InChIInChI=1S/C20H19N3O3/c1-14-18(10-21-23(14)11-16-6-4-3-5-7-16)19(25)13-22-12-17(15(2)24)8-9-20(22)26/h3-10,12H,11,13H2,1-2H3
InChIKeyACCGFIGFAINOBE-UHFFFAOYSA-N
XLogP2.49
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one (CID 139467369) is 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one is CC(=O)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1.
What is the InChIKey of 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is ACCGFIGFAINOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-18(10-21-23(14)11-16-6-4-3-5-7-16)19(25)13-22-12-17(15(2)24)8-9-20(22)26/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one?
5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 139467369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).