1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone

C8H8N4O — CID 133054536

IUPAC1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnn2ccc(N)nc12
InChIInChI=1S/C8H8N4O/c1-5(13)6-4-10-12-3-2-7(9)11-8(6)12/h2-4H,1H3,(H2,9,11)
InChIKeyRECBJEDIRHVSRV-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.51
Rot. Bonds1

About 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone

1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone (PubChem CID 133054536) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone
PubChem CID133054536
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnn2ccc(N)nc12
InChIInChI=1S/C8H8N4O/c1-5(13)6-4-10-12-3-2-7(9)11-8(6)12/h2-4H,1H3,(H2,9,11)
InChIKeyRECBJEDIRHVSRV-UHFFFAOYSA-N
XLogP0.51
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
Pyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 6485991
2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1478930
N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414474
2-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 45792526
N-[(E)-(dimethylamino)methylidene]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4322478
Pyrazolo(1,5-a)pyrimidine-6-carbaldehyde
CID 50990809
N-butan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414545
N-(2,2-difluoroethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134795310
2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134574496
6-methyl-1-(pyrimidin-2-yl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136004711
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042089

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone (CID 133054536) is 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone is CC(=O)c1cnn2ccc(N)nc12.
What is the InChIKey of 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The InChIKey is RECBJEDIRHVSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5(13)6-4-10-12-3-2-7(9)11-8(6)12/h2-4H,1H3,(H2,9,11).
What are the key properties of 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone has a molecular weight of 176.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 133054536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).