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

C11H13N3O — CID 106515960

IUPAC2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one
SMILESCCCn1cc(-c2cc(=O)cc[nH]2)cn1
InChIInChI=1S/C11H13N3O/c1-2-5-14-8-9(7-13-14)11-6-10(15)3-4-12-11/h3-4,6-8H,2,5H2,1H3,(H,12,15)
InChIKeyPFYHDDOLFJNKAN-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.65
Rot. Bonds3

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

2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one (PubChem CID 106515960) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one
PubChem CID106515960
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one
SMILESCCCn1cc(-c2cc(=O)cc[nH]2)cn1
InChIInChI=1S/C11H13N3O/c1-2-5-14-8-9(7-13-14)11-6-10(15)3-4-12-11/h3-4,6-8H,2,5H2,1H3,(H,12,15)
InChIKeyPFYHDDOLFJNKAN-UHFFFAOYSA-N
XLogP1.65
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one (CID 106515960) is 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one is CCCn1cc(-c2cc(=O)cc[nH]2)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one?
The InChIKey is PFYHDDOLFJNKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-5-14-8-9(7-13-14)11-6-10(15)3-4-12-11/h3-4,6-8H,2,5H2,1H3,(H,12,15).
What are the key properties of 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one?
2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one has a molecular weight of 203.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)-1H-pyridin-4-one is sourced from PubChem (CID 106515960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).