1-pyrazolo[1,5-a]pyrimidin-3-ylethanone

C8H7N3O — CID 59856268

IUPAC1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
SMILESCC(=O)c1cnn2cccnc12
InChIInChI=1S/C8H7N3O/c1-6(12)7-5-10-11-4-2-3-9-8(7)11/h2-5H,1H3
InChIKeyXOJYYEGGUDNEAH-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.93
Rot. Bonds1

About 1-pyrazolo[1,5-a]pyrimidin-3-ylethanone

1-pyrazolo[1,5-a]pyrimidin-3-ylethanone (PubChem CID 59856268) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrimidin-3-ylethanone.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
PubChem CID59856268
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
SMILESCC(=O)c1cnn2cccnc12
InChIInChI=1S/C8H7N3O/c1-6(12)7-5-10-11-4-2-3-9-8(7)11/h2-5H,1H3
InChIKeyXOJYYEGGUDNEAH-UHFFFAOYSA-N
XLogP0.93
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.93
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-ylethanone?
The IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-3-ylethanone (CID 59856268) is 1-pyrazolo[1,5-a]pyrimidin-3-ylethanone.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrimidin-3-ylethanone is CC(=O)c1cnn2cccnc12.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The InChIKey is XOJYYEGGUDNEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6(12)7-5-10-11-4-2-3-9-8(7)11/h2-5H,1H3.
What are the key properties of 1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
1-pyrazolo[1,5-a]pyrimidin-3-ylethanone has a molecular weight of 161.16 g/mol, XLogP of 0.93, 1 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-ylethanone is sourced from PubChem (CID 59856268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).