4-(1H-pyrazol-4-yl)-1H-pyridin-2-one

C8H7N3O — CID 91493276

IUPAC4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2cn[nH]c2)cc[nH]1
InChIInChI=1S/C8H7N3O/c12-8-3-6(1-2-9-8)7-4-10-11-5-7/h1-5H,(H,9,12)(H,10,11)
InChIKeyXZMCMAPZRMHPSL-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.76
Rot. Bonds1

About 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one

4-(1H-pyrazol-4-yl)-1H-pyridin-2-one (PubChem CID 91493276) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
PubChem CID91493276
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2cn[nH]c2)cc[nH]1
InChIInChI=1S/C8H7N3O/c12-8-3-6(1-2-9-8)7-4-10-11-5-7/h1-5H,(H,9,12)(H,10,11)
InChIKeyXZMCMAPZRMHPSL-UHFFFAOYSA-N
XLogP0.76
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one (CID 91493276) is 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one is O=c1cc(-c2cn[nH]c2)cc[nH]1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The InChIKey is XZMCMAPZRMHPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-8-3-6(1-2-9-8)7-4-10-11-5-7/h1-5H,(H,9,12)(H,10,11).
What are the key properties of 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
4-(1H-pyrazol-4-yl)-1H-pyridin-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 91493276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).