4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one

C13H12N4O — CID 10243363

IUPAC4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ccc(=O)n2nc(-c3cccnc3)cc12
InChIInChI=1S/C13H12N4O/c1-2-16-7-5-13(18)17-12(16)8-11(15-17)10-4-3-6-14-9-10/h3-9H,2H2,1H3
InChIKeyFHTQYZUOJVUDIE-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.58
Rot. Bonds2

About 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one

4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10243363) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10243363
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ccc(=O)n2nc(-c3cccnc3)cc12
InChIInChI=1S/C13H12N4O/c1-2-16-7-5-13(18)17-12(16)8-11(15-17)10-4-3-6-14-9-10/h3-9H,2H2,1H3
InChIKeyFHTQYZUOJVUDIE-UHFFFAOYSA-N
XLogP1.58
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271352
8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 117063091
2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one
CID 58200639
3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine
CID 121211783
2-phenyl-4-propylpyrazolo[1,5-a]pyrimidine-7-thione
CID 12726144
5-[2-(dimethylamino)ethyl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrazin-4-one
CID 171146201
N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine
CID 121210871
2-pyridin-3-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 177343859
3-(1-butylimidazol-4-yl)pyridine
CID 58668046
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one
CID 10725945

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 10243363) is 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one is CCn1ccc(=O)n2nc(-c3cccnc3)cc12.
What is the InChIKey of 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FHTQYZUOJVUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-16-7-5-13(18)17-12(16)8-11(15-17)10-4-3-6-14-9-10/h3-9H,2H2,1H3.
What are the key properties of 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one?
4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 240.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10243363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).