1H-pyrazole;1H-pyridin-2-one

C8H9N3O — CID 70166724

IUPAC1H-pyrazole;1H-pyridin-2-one
SMILESO=c1cccc[nH]1.c1cn[nH]c1
InChIInChI=1S/C5H5NO.C3H4N2/c7-5-3-1-2-4-6-5;1-2-4-5-3-1/h1-4H,(H,6,7);1-3H,(H,4,5)
InChIKeyYORKCBORGGOPFM-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.78
Rot. Bonds

About 1H-pyrazole;1H-pyridin-2-one

1H-pyrazole;1H-pyridin-2-one (PubChem CID 70166724) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1H-pyrazole;1H-pyridin-2-one.

Molecular Properties

Compound Name1H-pyrazole;1H-pyridin-2-one
PubChem CID70166724
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1H-pyrazole;1H-pyridin-2-one
SMILESO=c1cccc[nH]1.c1cn[nH]c1
InChIInChI=1S/C5H5NO.C3H4N2/c7-5-3-1-2-4-6-5;1-2-4-5-3-1/h1-4H,(H,6,7);1-3H,(H,4,5)
InChIKeyYORKCBORGGOPFM-UHFFFAOYSA-N
XLogP0.78
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;1H-pyridin-2-one?
The IUPAC name of 1H-pyrazole;1H-pyridin-2-one (CID 70166724) is 1H-pyrazole;1H-pyridin-2-one.
What is the SMILES notation for 1H-pyrazole;1H-pyridin-2-one?
The canonical SMILES for 1H-pyrazole;1H-pyridin-2-one is O=c1cccc[nH]1.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;1H-pyridin-2-one?
The InChIKey is YORKCBORGGOPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C3H4N2/c7-5-3-1-2-4-6-5;1-2-4-5-3-1/h1-4H,(H,6,7);1-3H,(H,4,5).
What are the key properties of 1H-pyrazole;1H-pyridin-2-one?
1H-pyrazole;1H-pyridin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;1H-pyridin-2-one is sourced from PubChem (CID 70166724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).