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

C9H9N3O2S — CID 104730078

IUPAC2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
SMILESCC(Sc1nccn2nccc12)C(=O)O
InChIInChI=1S/C9H9N3O2S/c1-6(9(13)14)15-8-7-2-3-11-12(7)5-4-10-8/h2-6H,1H3,(H,13,14)
InChIKeyWBQMRFTUKWESPO-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.29
Rot. Bonds3

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

2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid (PubChem CID 104730078) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
PubChem CID104730078
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
SMILESCC(Sc1nccn2nccc12)C(=O)O
InChIInChI=1S/C9H9N3O2S/c1-6(9(13)14)15-8-7-2-3-11-12(7)5-4-10-8/h2-6H,1H3,(H,13,14)
InChIKeyWBQMRFTUKWESPO-UHFFFAOYSA-N
XLogP1.29
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid (CID 104730078) is 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid is CC(Sc1nccn2nccc12)C(=O)O.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The InChIKey is WBQMRFTUKWESPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-6(9(13)14)15-8-7-2-3-11-12(7)5-4-10-8/h2-6H,1H3,(H,13,14).
What are the key properties of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid has a molecular weight of 223.26 g/mol, XLogP of 1.29, 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-ylsulfanylpropanoic acid is sourced from PubChem (CID 104730078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).