5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one

C9H9FN4O — CID 71278242

IUPAC5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CNc2[nH]ncc2F)c[nH]1
InChIInChI=1S/C9H9FN4O/c10-7-5-13-14-9(7)12-4-6-1-2-8(15)11-3-6/h1-3,5H,4H2,(H,11,15)(H2,12,13,14)
InChIKeyGDZFARCKODCHBH-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.85
Rot. Bonds3

About 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one

5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one (PubChem CID 71278242) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one
PubChem CID71278242
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CNc2[nH]ncc2F)c[nH]1
InChIInChI=1S/C9H9FN4O/c10-7-5-13-14-9(7)12-4-6-1-2-8(15)11-3-6/h1-3,5H,4H2,(H,11,15)(H2,12,13,14)
InChIKeyGDZFARCKODCHBH-UHFFFAOYSA-N
XLogP0.85
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one (CID 71278242) is 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one is O=c1ccc(CNc2[nH]ncc2F)c[nH]1.
What is the InChIKey of 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is GDZFARCKODCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c10-7-5-13-14-9(7)12-4-6-1-2-8(15)11-3-6/h1-3,5H,4H2,(H,11,15)(H2,12,13,14).
What are the key properties of 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one?
5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 208.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 71278242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).