6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane

C15H21N3O2 — CID 161473357

IUPAC6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane
SMILESC.CC(=O)c1cc(-c2c(C)cc(C)c(=O)n2C)nn1C
InChIInChI=1S/C14H17N3O2.CH4/c1-8-6-9(2)14(19)16(4)13(8)11-7-12(10(3)18)17(5)15-11;/h6-7H,1-5H3;1H4
InChIKeyWDJPQTSQJTYFHQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.24
Rot. Bonds2

About 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane

6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane (PubChem CID 161473357) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane.

Molecular Properties

Compound Name6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane
PubChem CID161473357
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane
SMILESC.CC(=O)c1cc(-c2c(C)cc(C)c(=O)n2C)nn1C
InChIInChI=1S/C14H17N3O2.CH4/c1-8-6-9(2)14(19)16(4)13(8)11-7-12(10(3)18)17(5)15-11;/h6-7H,1-5H3;1H4
InChIKeyWDJPQTSQJTYFHQ-UHFFFAOYSA-N
XLogP2.24
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane?
The IUPAC name of 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane (CID 161473357) is 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane.
What is the SMILES notation for 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane?
The canonical SMILES for 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane is C.CC(=O)c1cc(-c2c(C)cc(C)c(=O)n2C)nn1C.
What is the InChIKey of 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane?
The InChIKey is WDJPQTSQJTYFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.CH4/c1-8-6-9(2)14(19)16(4)13(8)11-7-12(10(3)18)17(5)15-11;/h6-7H,1-5H3;1H4.
What are the key properties of 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane?
6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane has a molecular weight of 275.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-acetyl-1-methylpyrazol-3-yl)-1,3,5-trimethylpyridin-2-one;methane is sourced from PubChem (CID 161473357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).