5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one

C13H16N4O2S — CID 146079696

IUPAC5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(CCn1ccn2nccc2c1=O)N1CCSCC1
InChIInChI=1S/C13H16N4O2S/c18-12(15-7-9-20-10-8-15)2-4-16-5-6-17-11(13(16)19)1-3-14-17/h1,3,5-6H,2,4,7-10H2
InChIKeyIMBJWFFEWOJJIP-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.46
Rot. Bonds3

About 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one

5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146079696) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID146079696
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(CCn1ccn2nccc2c1=O)N1CCSCC1
InChIInChI=1S/C13H16N4O2S/c18-12(15-7-9-20-10-8-15)2-4-16-5-6-17-11(13(16)19)1-3-14-17/h1,3,5-6H,2,4,7-10H2
InChIKeyIMBJWFFEWOJJIP-UHFFFAOYSA-N
XLogP0.46
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906802
5-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446751
5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104735134
5-butylpyrazolo[1,5-a]pyrazin-4-one
CID 154883945
2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid
CID 113446806
5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446718
(E)-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734580
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
2-amino-6-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104825110
5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104734984
trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide
CID 106746464
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53332891

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one (CID 146079696) is 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one is O=C(CCn1ccn2nccc2c1=O)N1CCSCC1.
What is the InChIKey of 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IMBJWFFEWOJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-12(15-7-9-20-10-8-15)2-4-16-5-6-17-11(13(16)19)1-3-14-17/h1,3,5-6H,2,4,7-10H2.
What are the key properties of 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one?
5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 292.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146079696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).