1-pyrazol-1-ylpyridin-2-one

C8H7N3O — CID 158298649

IUPAC1-pyrazol-1-ylpyridin-2-one
SMILESO=c1ccccn1-n1cccn1
InChIInChI=1S/C8H7N3O/c12-8-4-1-2-6-10(8)11-7-3-5-9-11/h1-7H
InChIKeyGMFMFRGFHCDQBJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.36
Rot. Bonds1

About 1-pyrazol-1-ylpyridin-2-one

1-pyrazol-1-ylpyridin-2-one (PubChem CID 158298649) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-pyrazol-1-ylpyridin-2-one.

Molecular Properties

Compound Name1-pyrazol-1-ylpyridin-2-one
PubChem CID158298649
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1-pyrazol-1-ylpyridin-2-one
SMILESO=c1ccccn1-n1cccn1
InChIInChI=1S/C8H7N3O/c12-8-4-1-2-6-10(8)11-7-3-5-9-11/h1-7H
InChIKeyGMFMFRGFHCDQBJ-UHFFFAOYSA-N
XLogP0.36
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpyridin-2-one?
The IUPAC name of 1-pyrazol-1-ylpyridin-2-one (CID 158298649) is 1-pyrazol-1-ylpyridin-2-one.
What is the SMILES notation for 1-pyrazol-1-ylpyridin-2-one?
The canonical SMILES for 1-pyrazol-1-ylpyridin-2-one is O=c1ccccn1-n1cccn1.
What is the InChIKey of 1-pyrazol-1-ylpyridin-2-one?
The InChIKey is GMFMFRGFHCDQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-8-4-1-2-6-10(8)11-7-3-5-9-11/h1-7H.
What are the key properties of 1-pyrazol-1-ylpyridin-2-one?
1-pyrazol-1-ylpyridin-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylpyridin-2-one is sourced from PubChem (CID 158298649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).