1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one

C17H19N3O — CID 118680512

IUPAC1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one
SMILESCc1nn(C)c(C)c1-c1ccc(=O)n(C2=CC=CCC2)c1
InChIInChI=1S/C17H19N3O/c1-12-17(13(2)19(3)18-12)14-9-10-16(21)20(11-14)15-7-5-4-6-8-15/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyQUONYNIYWXXCIN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.06
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one

1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one (PubChem CID 118680512) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one
PubChem CID118680512
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one
SMILESCc1nn(C)c(C)c1-c1ccc(=O)n(C2=CC=CCC2)c1
InChIInChI=1S/C17H19N3O/c1-12-17(13(2)19(3)18-12)14-9-10-16(21)20(11-14)15-7-5-4-6-8-15/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyQUONYNIYWXXCIN-UHFFFAOYSA-N
XLogP3.06
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one (CID 118680512) is 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one is Cc1nn(C)c(C)c1-c1ccc(=O)n(C2=CC=CCC2)c1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one?
The InChIKey is QUONYNIYWXXCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-17(13(2)19(3)18-12)14-9-10-16(21)20(11-14)15-7-5-4-6-8-15/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one?
1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 118680512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).