5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one

C18H19N3OS — CID 135355552

IUPAC5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one
SMILESCCSc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H19N3OS/c1-3-23-17-9-18(22)20(2)13-16(17)15-10-19-21(12-15)11-14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3
InChIKeyOXPIQWDCILYXAT-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.41
Rot. Bonds5

About 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one

5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one (PubChem CID 135355552) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one
PubChem CID135355552
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one
SMILESCCSc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H19N3OS/c1-3-23-17-9-18(22)20(2)13-16(17)15-10-19-21(12-15)11-14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3
InChIKeyOXPIQWDCILYXAT-UHFFFAOYSA-N
XLogP3.41
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one (CID 135355552) is 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one is CCSc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one?
The InChIKey is OXPIQWDCILYXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-23-17-9-18(22)20(2)13-16(17)15-10-19-21(12-15)11-14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one has a molecular weight of 325.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-4-ethylsulfanyl-1-methylpyridin-2-one is sourced from PubChem (CID 135355552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).