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

C18H19N3O — CID 135355493

IUPAC1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCc1ccccc1C(C)n1cc(-c2ccc(=O)n(C)c2)cn1
InChIInChI=1S/C18H19N3O/c1-13-6-4-5-7-17(13)14(2)21-12-16(10-19-21)15-8-9-18(22)20(3)11-15/h4-12,14H,1-3H3
InChIKeyQYLUEABEKSHVNT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.17
Rot. Bonds3

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

1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355493) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355493
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCc1ccccc1C(C)n1cc(-c2ccc(=O)n(C)c2)cn1
InChIInChI=1S/C18H19N3O/c1-13-6-4-5-7-17(13)14(2)21-12-16(10-19-21)15-8-9-18(22)20(3)11-15/h4-12,14H,1-3H3
InChIKeyQYLUEABEKSHVNT-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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one (CID 135355493) is 1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one is Cc1ccccc1C(C)n1cc(-c2ccc(=O)n(C)c2)cn1.
What is the InChIKey of 1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is QYLUEABEKSHVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-6-4-5-7-17(13)14(2)21-12-16(10-19-21)15-8-9-18(22)20(3)11-15/h4-12,14H,1-3H3.
What are the key properties of 1-methyl-5-[1-[1-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
1-methyl-5-[1-[1-(2-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-(2-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).