1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one

C18H19N3O — CID 135355547

IUPAC1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCc1cccc(C(C)n2cc(-c3ccc(=O)n(C)c3)cn2)c1
InChIInChI=1S/C18H19N3O/c1-13-5-4-6-15(9-13)14(2)21-12-17(10-19-21)16-7-8-18(22)20(3)11-16/h4-12,14H,1-3H3
InChIKeyQQSTVVQLJVJIRP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.17
Rot. Bonds3

About 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one

1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355547) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355547
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCc1cccc(C(C)n2cc(-c3ccc(=O)n(C)c3)cn2)c1
InChIInChI=1S/C18H19N3O/c1-13-5-4-6-15(9-13)14(2)21-12-17(10-19-21)16-7-8-18(22)20(3)11-16/h4-12,14H,1-3H3
InChIKeyQQSTVVQLJVJIRP-UHFFFAOYSA-N
XLogP3.17
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-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 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one (CID 135355547) is 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one is Cc1cccc(C(C)n2cc(-c3ccc(=O)n(C)c3)cn2)c1.
What is the InChIKey of 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is QQSTVVQLJVJIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-5-4-6-15(9-13)14(2)21-12-17(10-19-21)16-7-8-18(22)20(3)11-16/h4-12,14H,1-3H3.
What are the key properties of 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-[1-(3-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).