5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one

C18H19N3O2 — CID 135355401

IUPAC5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one
SMILESCOc1cccc(C(C)n2cc(-c3ccc(=O)n(C)c3)cn2)c1
InChIInChI=1S/C18H19N3O2/c1-13(14-5-4-6-17(9-14)23-3)21-12-16(10-19-21)15-7-8-18(22)20(2)11-15/h4-13H,1-3H3
InChIKeyPMARLAYNALEWCD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.87
Rot. Bonds4

About 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one

5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one (PubChem CID 135355401) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one
PubChem CID135355401
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one
SMILESCOc1cccc(C(C)n2cc(-c3ccc(=O)n(C)c3)cn2)c1
InChIInChI=1S/C18H19N3O2/c1-13(14-5-4-6-17(9-14)23-3)21-12-16(10-19-21)15-7-8-18(22)20(2)11-15/h4-13H,1-3H3
InChIKeyPMARLAYNALEWCD-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

Analyze 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one (CID 135355401) is 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one is COc1cccc(C(C)n2cc(-c3ccc(=O)n(C)c3)cn2)c1.
What is the InChIKey of 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one?
The InChIKey is PMARLAYNALEWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(14-5-4-6-17(9-14)23-3)21-12-16(10-19-21)15-7-8-18(22)20(2)11-15/h4-13H,1-3H3.
What are the key properties of 5-[1-[1-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one?
5-[1-[1-(3-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-(3-methoxyphenyl)ethyl]pyrazol-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 135355401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).