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

C13H18N4O — CID 79579074

IUPAC5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2cnn(C)c2C)ccc1=O
InChIInChI=1S/C13H18N4O/c1-4-17-9-12(5-6-13(17)18)14-7-11-8-15-16(3)10(11)2/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeySOXZYPVWPYVHJZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.52
Rot. Bonds4

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

5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one (PubChem CID 79579074) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one
PubChem CID79579074
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2cnn(C)c2C)ccc1=O
InChIInChI=1S/C13H18N4O/c1-4-17-9-12(5-6-13(17)18)14-7-11-8-15-16(3)10(11)2/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeySOXZYPVWPYVHJZ-UHFFFAOYSA-N
XLogP1.52
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 54864112
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one
CID 104503884
1-ethyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
CID 62755967
1-ethyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555517
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 54864095
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-diethoxyaniline
CID 79568768

Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one (CID 79579074) is 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one is CCn1cc(NCc2cnn(C)c2C)ccc1=O.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one?
The InChIKey is SOXZYPVWPYVHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-17-9-12(5-6-13(17)18)14-7-11-8-15-16(3)10(11)2/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one?
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 79579074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).