3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one

C12H15FN4O — CID 154976046

IUPAC3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one
SMILESCCc1cc(N(C)Cc2cc(F)c[nH]c2=O)n[nH]1
InChIInChI=1S/C12H15FN4O/c1-3-10-5-11(16-15-10)17(2)7-8-4-9(13)6-14-12(8)18/h4-6H,3,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyXTNOKNQKWPDLII-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.44
Rot. Bonds4

About 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one

3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one (PubChem CID 154976046) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one
PubChem CID154976046
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one
SMILESCCc1cc(N(C)Cc2cc(F)c[nH]c2=O)n[nH]1
InChIInChI=1S/C12H15FN4O/c1-3-10-5-11(16-15-10)17(2)7-8-4-9(13)6-14-12(8)18/h4-6H,3,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyXTNOKNQKWPDLII-UHFFFAOYSA-N
XLogP1.44
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one (CID 154976046) is 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one is CCc1cc(N(C)Cc2cc(F)c[nH]c2=O)n[nH]1.
What is the InChIKey of 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one?
The InChIKey is XTNOKNQKWPDLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-3-10-5-11(16-15-10)17(2)7-8-4-9(13)6-14-12(8)18/h4-6H,3,7H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one?
3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one has a molecular weight of 250.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 154976046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).