3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol

C9H11N3OS — CID 104732246

IUPAC3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol
SMILESOCCCSc1nccn2nccc12
InChIInChI=1S/C9H11N3OS/c13-6-1-7-14-9-8-2-3-11-12(8)5-4-10-9/h2-5,13H,1,6-7H2
InChIKeyHRNANNHWPWIIBQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.20
Rot. Bonds4

About 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol

3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol (PubChem CID 104732246) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol
PubChem CID104732246
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol
SMILESOCCCSc1nccn2nccc12
InChIInChI=1S/C9H11N3OS/c13-6-1-7-14-9-8-2-3-11-12(8)5-4-10-9/h2-5,13H,1,6-7H2
InChIKeyHRNANNHWPWIIBQ-UHFFFAOYSA-N
XLogP1.20
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol?
The IUPAC name of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol (CID 104732246) is 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol.
What is the SMILES notation for 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol?
The canonical SMILES for 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol is OCCCSc1nccn2nccc12.
What is the InChIKey of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol?
The InChIKey is HRNANNHWPWIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-6-1-7-14-9-8-2-3-11-12(8)5-4-10-9/h2-5,13H,1,6-7H2.
What are the key properties of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol?
3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropan-1-ol has a molecular weight of 209.27 g/mol, XLogP of 1.20, 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-ylsulfanylpropan-1-ol is sourced from PubChem (CID 104732246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).