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

C14H16N4OS — CID 104735362

IUPAC5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1CCNCCc1ccsc1
InChIInChI=1S/C14H16N4OS/c19-14-13-2-5-16-18(13)9-8-17(14)7-6-15-4-1-12-3-10-20-11-12/h2-3,5,8-11,15H,1,4,6-7H2
InChIKeyOXTFUWCBVQVPGB-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.39
Rot. Bonds6

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

5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735362) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735362
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1CCNCCc1ccsc1
InChIInChI=1S/C14H16N4OS/c19-14-13-2-5-16-18(13)9-8-17(14)7-6-15-4-1-12-3-10-20-11-12/h2-3,5,8-11,15H,1,4,6-7H2
InChIKeyOXTFUWCBVQVPGB-UHFFFAOYSA-N
XLogP1.39
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.39
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-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734768
5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735369
4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one
CID 114217450
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62567147
5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735392
N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine
CID 62565668
2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735481
1-[2-(2-thiophen-3-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280215
1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one
CID 55154883
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62564712
N-[2-(benzotriazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62563724
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735362) is 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2ccnn2ccn1CCNCCc1ccsc1.
What is the InChIKey of 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OXTFUWCBVQVPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-14-13-2-5-16-18(13)9-8-17(14)7-6-15-4-1-12-3-10-20-11-12/h2-3,5,8-11,15H,1,4,6-7H2.
What are the key properties of 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 288.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).