4-ethylpyrazolo[1,5-a]pyrimidine-7-thione

C8H9N3S — CID 12726142

IUPAC4-ethylpyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCn1ccc(=S)n2nccc12
InChIInChI=1S/C8H9N3S/c1-2-10-6-4-8(12)11-7(10)3-5-9-11/h3-6H,2H2,1H3
InChIKeyBAYWPLPFTCCVGI-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.89
Rot. Bonds1

About 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione

4-ethylpyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 12726142) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name4-ethylpyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID12726142
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name4-ethylpyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCn1ccc(=S)n2nccc12
InChIInChI=1S/C8H9N3S/c1-2-10-6-4-8(12)11-7(10)3-5-9-11/h3-6H,2H2,1H3
InChIKeyBAYWPLPFTCCVGI-UHFFFAOYSA-N
XLogP1.89
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione (CID 12726142) is 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione is CCn1ccc(=S)n2nccc12.
What is the InChIKey of 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is BAYWPLPFTCCVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-2-10-6-4-8(12)11-7(10)3-5-9-11/h3-6H,2H2,1H3.
What are the key properties of 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione?
4-ethylpyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 179.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 12726142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).