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

C8H7N3O — CID 170056001

IUPAC2-(1H-pyrazol-4-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cn[nH]c2)c1
InChIInChI=1S/C8H7N3O/c12-7-1-2-9-8(3-7)6-4-10-11-5-6/h1-5H,(H,9,12)(H,10,11)
InChIKeyRNCRXVREFQJPMM-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.76
Rot. Bonds1

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

2-(1H-pyrazol-4-yl)-1H-pyridin-4-one (PubChem CID 170056001) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-1H-pyridin-4-one
PubChem CID170056001
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-(1H-pyrazol-4-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cn[nH]c2)c1
InChIInChI=1S/C8H7N3O/c12-7-1-2-9-8(3-7)6-4-10-11-5-6/h1-5H,(H,9,12)(H,10,11)
InChIKeyRNCRXVREFQJPMM-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 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one (CID 170056001) is 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2cn[nH]c2)c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one?
The InChIKey is RNCRXVREFQJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-7-1-2-9-8(3-7)6-4-10-11-5-6/h1-5H,(H,9,12)(H,10,11).
What are the key properties of 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one?
2-(1H-pyrazol-4-yl)-1H-pyridin-4-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 2-(1H-pyrazol-4-yl)-1H-pyridin-4-one is sourced from PubChem (CID 170056001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).