1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one

C11H13FN4O — CID 137449618

IUPAC1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one
SMILESCNc1cc(F)cn(-c2cc(C)n(C)n2)c1=O
InChIInChI=1S/C11H13FN4O/c1-7-4-10(14-15(7)3)16-6-8(12)5-9(13-2)11(16)17/h4-6,13H,1-3H3
InChIKeyYMWCXCBXVZSCST-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.06
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one

1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one (PubChem CID 137449618) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one
PubChem CID137449618
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one
SMILESCNc1cc(F)cn(-c2cc(C)n(C)n2)c1=O
InChIInChI=1S/C11H13FN4O/c1-7-4-10(14-15(7)3)16-6-8(12)5-9(13-2)11(16)17/h4-6,13H,1-3H3
InChIKeyYMWCXCBXVZSCST-UHFFFAOYSA-N
XLogP1.06
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one (CID 137449618) is 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one is CNc1cc(F)cn(-c2cc(C)n(C)n2)c1=O.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one?
The InChIKey is YMWCXCBXVZSCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-7-4-10(14-15(7)3)16-6-8(12)5-9(13-2)11(16)17/h4-6,13H,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one?
1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one has a molecular weight of 236.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).