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

C9H9N3O2S — CID 104730073

IUPAC3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
SMILESO=C(O)CCSc1nccn2nccc12
InChIInChI=1S/C9H9N3O2S/c13-8(14)2-6-15-9-7-1-3-11-12(7)5-4-10-9/h1,3-5H,2,6H2,(H,13,14)
InChIKeyMPPYNCYEPYSZNE-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.30
Rot. Bonds4

About 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid

3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid (PubChem CID 104730073) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
PubChem CID104730073
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
SMILESO=C(O)CCSc1nccn2nccc12
InChIInChI=1S/C9H9N3O2S/c13-8(14)2-6-15-9-7-1-3-11-12(7)5-4-10-9/h1,3-5H,2,6H2,(H,13,14)
InChIKeyMPPYNCYEPYSZNE-UHFFFAOYSA-N
XLogP1.30
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The IUPAC name of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid (CID 104730073) is 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid.
What is the SMILES notation for 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The canonical SMILES for 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid is O=C(O)CCSc1nccn2nccc12.
What is the InChIKey of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The InChIKey is MPPYNCYEPYSZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c13-8(14)2-6-15-9-7-1-3-11-12(7)5-4-10-9/h1,3-5H,2,6H2,(H,13,14).
What are the key properties of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid has a molecular weight of 223.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid is sourced from PubChem (CID 104730073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).