5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one

C12H16N4O — CID 83088804

IUPAC5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
SMILESCc1nn(C)cc1CNc1ccc(=O)n(C)c1
InChIInChI=1S/C12H16N4O/c1-9-10(7-16(3)14-9)6-13-11-4-5-12(17)15(2)8-11/h4-5,7-8,13H,6H2,1-3H3
InChIKeyNGVBESMVWUPNOO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.04
Rot. Bonds3

About 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one

5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one (PubChem CID 83088804) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
PubChem CID83088804
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
SMILESCc1nn(C)cc1CNc1ccc(=O)n(C)c1
InChIInChI=1S/C12H16N4O/c1-9-10(7-16(3)14-9)6-13-11-4-5-12(17)15(2)8-11/h4-5,7-8,13H,6H2,1-3H3
InChIKeyNGVBESMVWUPNOO-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridin-2-one
CID 60932541
6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 83090137
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one
CID 66116442
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83085930
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966
5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one
CID 114842121
1-methyl-5-[(5-methyl-2-pyridinyl)methylamino]pyridin-2-one
CID 81313295
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoro-4-nitroaniline
CID 83089738
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
CID 83086550
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 60930659

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one (CID 83088804) is 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one is Cc1nn(C)cc1CNc1ccc(=O)n(C)c1.
What is the InChIKey of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one?
The InChIKey is NGVBESMVWUPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-10(7-16(3)14-9)6-13-11-4-5-12(17)15(2)8-11/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one?
5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one has a molecular weight of 232.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 83088804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).