7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C15H14N4O2S — CID 91888557

IUPAC7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCC(NCc2ccco2)n2nc(-c3cccs3)cc21
InChIInChI=1S/C15H14N4O2S/c20-15-12-7-11(13-4-2-6-22-13)18-19(12)14(9-17-15)16-8-10-3-1-5-21-10/h1-7,14,16H,8-9H2,(H,17,20)
InChIKeyYAQSQQPXKQDFPL-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.24
Rot. Bonds4

About 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91888557) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91888557
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCC(NCc2ccco2)n2nc(-c3cccs3)cc21
InChIInChI=1S/C15H14N4O2S/c20-15-12-7-11(13-4-2-6-22-13)18-19(12)14(9-17-15)16-8-10-3-1-5-21-10/h1-7,14,16H,8-9H2,(H,17,20)
InChIKeyYAQSQQPXKQDFPL-UHFFFAOYSA-N
XLogP2.24
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91888557) is 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCC(NCc2ccco2)n2nc(-c3cccs3)cc21.
What is the InChIKey of 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YAQSQQPXKQDFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-15-12-7-11(13-4-2-6-22-13)18-19(12)14(9-17-15)16-8-10-3-1-5-21-10/h1-7,14,16H,8-9H2,(H,17,20).
What are the key properties of 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 314.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91888557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).