1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one

C9H9N3O — CID 134369262

IUPAC1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
SMILESCCC(=O)c1cnn2cccnc12
InChIInChI=1S/C9H9N3O/c1-2-8(13)7-6-11-12-5-3-4-10-9(7)12/h3-6H,2H2,1H3
InChIKeyYNWVFCGGTKFXTH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.32
Rot. Bonds2

About 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one

1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one (PubChem CID 134369262) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
PubChem CID134369262
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
SMILESCCC(=O)c1cnn2cccnc12
InChIInChI=1S/C9H9N3O/c1-2-8(13)7-6-11-12-5-3-4-10-9(7)12/h3-6H,2H2,1H3
InChIKeyYNWVFCGGTKFXTH-UHFFFAOYSA-N
XLogP1.32
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one (CID 134369262) is 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one is CCC(=O)c1cnn2cccnc12.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The InChIKey is YNWVFCGGTKFXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-8(13)7-6-11-12-5-3-4-10-9(7)12/h3-6H,2H2,1H3.
What are the key properties of 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one is sourced from PubChem (CID 134369262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).