2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C9H11N3O3 — CID 58190621

IUPAC2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCOc1cc2nccc(=O)n2[nH]1
InChIInChI=1S/C9H11N3O3/c1-14-4-5-15-8-6-7-10-3-2-9(13)12(7)11-8/h2-3,6,11H,4-5H2,1H3
InChIKeyQCRKCDZIKKDXOM-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.05
Rot. Bonds4

About 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58190621) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58190621
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCOc1cc2nccc(=O)n2[nH]1
InChIInChI=1S/C9H11N3O3/c1-14-4-5-15-8-6-7-10-3-2-9(13)12(7)11-8/h2-3,6,11H,4-5H2,1H3
InChIKeyQCRKCDZIKKDXOM-UHFFFAOYSA-N
XLogP0.05
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 58190621) is 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCCOc1cc2nccc(=O)n2[nH]1.
What is the InChIKey of 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QCRKCDZIKKDXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-14-4-5-15-8-6-7-10-3-2-9(13)12(7)11-8/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 209.20 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58190621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).