1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one

C11H13N3O — CID 171746124

IUPAC1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCC(C)n1cc(-c2cn[nH]c2)ccc1=O
InChIInChI=1S/C11H13N3O/c1-8(2)14-7-9(3-4-11(14)15)10-5-12-13-6-10/h3-8H,1-2H3,(H,12,13)
InChIKeyPYHBIFAZJOTAAX-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.82
Rot. Bonds2

About 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one

1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one (PubChem CID 171746124) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one
PubChem CID171746124
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCC(C)n1cc(-c2cn[nH]c2)ccc1=O
InChIInChI=1S/C11H13N3O/c1-8(2)14-7-9(3-4-11(14)15)10-5-12-13-6-10/h3-8H,1-2H3,(H,12,13)
InChIKeyPYHBIFAZJOTAAX-UHFFFAOYSA-N
XLogP1.82
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one (CID 171746124) is 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one is CC(C)n1cc(-c2cn[nH]c2)ccc1=O.
What is the InChIKey of 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one?
The InChIKey is PYHBIFAZJOTAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(2)14-7-9(3-4-11(14)15)10-5-12-13-6-10/h3-8H,1-2H3,(H,12,13).
What are the key properties of 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one?
1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 171746124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).