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

C18H19N3O2 — CID 135355151

IUPAC5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H19N3O2/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
InChIKeyWYEUMBHZKHDOQG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.70
Rot. Bonds5

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

5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one (PubChem CID 135355151) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one
PubChem CID135355151
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H19N3O2/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
InChIKeyWYEUMBHZKHDOQG-UHFFFAOYSA-N
XLogP2.70
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10617680, Example 252
CID 135355353
US10617680, Example 91
CID 135355383
US10617680, Example 92
CID 135355386
US10617680, Example 6
CID 135355311
US10617680, Example 21
CID 135355395
US10617680, Example 26
CID 135355442
US10617680, Example 102
CID 135355042
US10617680, Example 44
CID 135355067
US10617680, Example 283
CID 135355121
US10617680, Example 202
CID 135355129
US10617680, Example 167
CID 135355133
US10617680, Example 132
CID 135355137

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one (CID 135355151) is 5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one?
The InChIKey is WYEUMBHZKHDOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/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-ethoxy-1-methylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-4-ethoxy-1-methylpyridin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.70, 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-ethoxy-1-methylpyridin-2-one is sourced from PubChem (CID 135355151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).