3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one

C11H13FN4O — CID 142523759

IUPAC3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCCNc1cc(F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C11H13FN4O/c1-3-13-10-4-8(12)6-16(11(10)17)9-5-14-15(2)7-9/h4-7,13H,3H2,1-2H3
InChIKeyVOFIPKJBXKTEEK-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.14
Rot. Bonds3

About 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one

3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 142523759) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID142523759
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCCNc1cc(F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C11H13FN4O/c1-3-13-10-4-8(12)6-16(11(10)17)9-5-14-15(2)7-9/h4-7,13H,3H2,1-2H3
InChIKeyVOFIPKJBXKTEEK-UHFFFAOYSA-N
XLogP1.14
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one (CID 142523759) is 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one is CCNc1cc(F)cn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is VOFIPKJBXKTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-3-13-10-4-8(12)6-16(11(10)17)9-5-14-15(2)7-9/h4-7,13H,3H2,1-2H3.
What are the key properties of 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one?
3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 236.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 142523759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).