1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one

C12H16N4O — CID 62208487

IUPAC1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one
SMILESCNc1c(Cn2ccccc2=O)c(C)nn1C
InChIInChI=1S/C12H16N4O/c1-9-10(12(13-2)15(3)14-9)8-16-7-5-4-6-11(16)17/h4-7,13H,8H2,1-3H3
InChIKeyIOPFXSSWMVWHRB-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.98
Rot. Bonds3

About 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one

1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one (PubChem CID 62208487) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one
PubChem CID62208487
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one
SMILESCNc1c(Cn2ccccc2=O)c(C)nn1C
InChIInChI=1S/C12H16N4O/c1-9-10(12(13-2)15(3)14-9)8-16-7-5-4-6-11(16)17/h4-7,13H,8H2,1-3H3
InChIKeyIOPFXSSWMVWHRB-UHFFFAOYSA-N
XLogP0.98
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one (CID 62208487) is 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one is CNc1c(Cn2ccccc2=O)c(C)nn1C.
What is the InChIKey of 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one?
The InChIKey is IOPFXSSWMVWHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-10(12(13-2)15(3)14-9)8-16-7-5-4-6-11(16)17/h4-7,13H,8H2,1-3H3.
What are the key properties of 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one?
1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one has a molecular weight of 232.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one is sourced from PubChem (CID 62208487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).