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

C12H18N4O2 — CID 104735396

IUPAC5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOCCNCCn1ccn2nccc2c1=O
InChIInChI=1S/C12H18N4O2/c1-2-18-10-6-13-5-7-15-8-9-16-11(12(15)17)3-4-14-16/h3-4,8-9,13H,2,5-7,10H2,1H3
InChIKeyFWFPANWPQXXRKH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.12
Rot. Bonds7

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

5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735396) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735396
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOCCNCCn1ccn2nccc2c1=O
InChIInChI=1S/C12H18N4O2/c1-2-18-10-6-13-5-7-15-8-9-16-11(12(15)17)3-4-14-16/h3-4,8-9,13H,2,5-7,10H2,1H3
InChIKeyFWFPANWPQXXRKH-UHFFFAOYSA-N
XLogP0.12
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735369
5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734768
5-butylpyrazolo[1,5-a]pyrazin-4-one
CID 154883945
5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735362
5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104735134
5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735392
5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446718
5-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446751
5-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734481
5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803
2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid
CID 113446806
5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734766

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735396) is 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is CCOCCNCCn1ccn2nccc2c1=O.
What is the InChIKey of 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FWFPANWPQXXRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-18-10-6-13-5-7-15-8-9-16-11(12(15)17)3-4-14-16/h3-4,8-9,13H,2,5-7,10H2,1H3.
What are the key properties of 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 250.30 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).