5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C14H14N4O2 — CID 104734464

IUPAC5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESNc1cccc(OCCn2ccn3nccc3c2=O)c1
InChIInChI=1S/C14H14N4O2/c15-11-2-1-3-12(10-11)20-9-8-17-6-7-18-13(14(17)19)4-5-16-18/h1-7,10H,8-9,15H2
InChIKeyIVGYNWRZPJYXRU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.16
Rot. Bonds4

About 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734464) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734464
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESNc1cccc(OCCn2ccn3nccc3c2=O)c1
InChIInChI=1S/C14H14N4O2/c15-11-2-1-3-12(10-11)20-9-8-17-6-7-18-13(14(17)19)4-5-16-18/h1-7,10H,8-9,15H2
InChIKeyIVGYNWRZPJYXRU-UHFFFAOYSA-N
XLogP1.16
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
5-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734481
3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732148
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754
1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147667
3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
CID 82147649
6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 61032407
5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735369
3-[2-(4-methylindol-1-yl)ethoxy]aniline
CID 43365841
5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104735134

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104734464) is 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one is Nc1cccc(OCCn2ccn3nccc3c2=O)c1.
What is the InChIKey of 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IVGYNWRZPJYXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-11-2-1-3-12(10-11)20-9-8-17-6-7-18-13(14(17)19)4-5-16-18/h1-7,10H,8-9,15H2.
What are the key properties of 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 270.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).