6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one

C11H13N3O — CID 156792374

IUPAC6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one
SMILESCc1[nH]nc(-c2cccc(=O)n2C)c1C
InChIInChI=1S/C11H13N3O/c1-7-8(2)12-13-11(7)9-5-4-6-10(15)14(9)3/h4-6H,1-3H3,(H,12,13)
InChIKeyVJVAYXGXGSIDOF-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.39
Rot. Bonds1

About 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one

6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one (PubChem CID 156792374) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one
PubChem CID156792374
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one
SMILESCc1[nH]nc(-c2cccc(=O)n2C)c1C
InChIInChI=1S/C11H13N3O/c1-7-8(2)12-13-11(7)9-5-4-6-10(15)14(9)3/h4-6H,1-3H3,(H,12,13)
InChIKeyVJVAYXGXGSIDOF-UHFFFAOYSA-N
XLogP1.39
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one?
The IUPAC name of 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one (CID 156792374) is 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one?
The canonical SMILES for 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one is Cc1[nH]nc(-c2cccc(=O)n2C)c1C.
What is the InChIKey of 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one?
The InChIKey is VJVAYXGXGSIDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-8(2)12-13-11(7)9-5-4-6-10(15)14(9)3/h4-6H,1-3H3,(H,12,13).
What are the key properties of 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one?
6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 156792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).