5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one

C18H19N3O2 — CID 135355534

IUPAC5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one
SMILESCOc1ccccc1C(C)n1cc(-c2ccc(=O)n(C)c2)cn1
InChIInChI=1S/C18H19N3O2/c1-13(16-6-4-5-7-17(16)23-3)21-12-15(10-19-21)14-8-9-18(22)20(2)11-14/h4-13H,1-3H3
InChIKeyJLGHOSWJLRBWJK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.87
Rot. Bonds4

About 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one

5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one (PubChem CID 135355534) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one
PubChem CID135355534
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one
SMILESCOc1ccccc1C(C)n1cc(-c2ccc(=O)n(C)c2)cn1
InChIInChI=1S/C18H19N3O2/c1-13(16-6-4-5-7-17(16)23-3)21-12-15(10-19-21)14-8-9-18(22)20(2)11-14/h4-13H,1-3H3
InChIKeyJLGHOSWJLRBWJK-UHFFFAOYSA-N
XLogP2.87
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one (CID 135355534) is 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one is COc1ccccc1C(C)n1cc(-c2ccc(=O)n(C)c2)cn1.
What is the InChIKey of 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one?
The InChIKey is JLGHOSWJLRBWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(16-6-4-5-7-17(16)23-3)21-12-15(10-19-21)14-8-9-18(22)20(2)11-14/h4-13H,1-3H3.
What are the key properties of 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one?
5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(2-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 135355534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).