3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one

C9H10N4O — CID 84771472

IUPAC3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one
SMILESNCCC(=O)c1cnc2ccnn2c1
InChIInChI=1S/C9H10N4O/c10-3-1-8(14)7-5-11-9-2-4-12-13(9)6-7/h2,4-6H,1,3,10H2
InChIKeyRYCHWQMADHSVGD-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.26
Rot. Bonds3

About 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one

3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one (PubChem CID 84771472) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one
PubChem CID84771472
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one
SMILESNCCC(=O)c1cnc2ccnn2c1
InChIInChI=1S/C9H10N4O/c10-3-1-8(14)7-5-11-9-2-4-12-13(9)6-7/h2,4-6H,1,3,10H2
InChIKeyRYCHWQMADHSVGD-UHFFFAOYSA-N
XLogP0.26
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one?
The IUPAC name of 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one (CID 84771472) is 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one.
What is the SMILES notation for 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one?
The canonical SMILES for 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one is NCCC(=O)c1cnc2ccnn2c1.
What is the InChIKey of 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one?
The InChIKey is RYCHWQMADHSVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-3-1-8(14)7-5-11-9-2-4-12-13(9)6-7/h2,4-6H,1,3,10H2.
What are the key properties of 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one?
3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one has a molecular weight of 190.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-one is sourced from PubChem (CID 84771472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).