2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid

C8H7N3O2S — CID 104730082

IUPAC2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid
SMILESO=C(O)CSc1nccn2nccc12
InChIInChI=1S/C8H7N3O2S/c12-7(13)5-14-8-6-1-2-10-11(6)4-3-9-8/h1-4H,5H2,(H,12,13)
InChIKeyYUKYLLZDGCKSHX-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.91
Rot. Bonds3

About 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid

2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid (PubChem CID 104730082) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid
PubChem CID104730082
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid
SMILESO=C(O)CSc1nccn2nccc12
InChIInChI=1S/C8H7N3O2S/c12-7(13)5-14-8-6-1-2-10-11(6)4-3-9-8/h1-4H,5H2,(H,12,13)
InChIKeyYUKYLLZDGCKSHX-UHFFFAOYSA-N
XLogP0.91
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 175743616
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730076
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730080
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetic acid
CID 104730085
2-Methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730109
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutanoic acid
CID 104730119
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutanoic acid
CID 105354935
6-Methylsulfanylpyrazolo[1,5-a]pyrazine
CID 170375120
2-Pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid
CID 12814068
3-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730073
3-(2-Methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
CID 104730074
3-(2-Propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
CID 104730077

Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid?
The IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid (CID 104730082) is 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid is O=C(O)CSc1nccn2nccc12.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid?
The InChIKey is YUKYLLZDGCKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-7(13)5-14-8-6-1-2-10-11(6)4-3-9-8/h1-4H,5H2,(H,12,13).
What are the key properties of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid?
2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid has a molecular weight of 209.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid is sourced from PubChem (CID 104730082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).