3-amino-1-ethylpyrazole-4-thiol

C5H9N3S — CID 166717856

IUPAC3-amino-1-ethylpyrazole-4-thiol
SMILESCCn1cc(S)c(N)n1
InChIInChI=1S/C5H9N3S/c1-2-8-3-4(9)5(6)7-8/h3,9H,2H2,1H3,(H2,6,7)
InChIKeyLPIJPJCFCGZXPE-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.77
Rot. Bonds1

About 3-amino-1-ethylpyrazole-4-thiol

3-amino-1-ethylpyrazole-4-thiol (PubChem CID 166717856) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 3-amino-1-ethylpyrazole-4-thiol.

Molecular Properties

Compound Name3-amino-1-ethylpyrazole-4-thiol
PubChem CID166717856
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name3-amino-1-ethylpyrazole-4-thiol
SMILESCCn1cc(S)c(N)n1
InChIInChI=1S/C5H9N3S/c1-2-8-3-4(9)5(6)7-8/h3,9H,2H2,1H3,(H2,6,7)
InChIKeyLPIJPJCFCGZXPE-UHFFFAOYSA-N
XLogP0.77
TPSA43.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethylpyrazole-4-thiol?
The IUPAC name of 3-amino-1-ethylpyrazole-4-thiol (CID 166717856) is 3-amino-1-ethylpyrazole-4-thiol.
What is the SMILES notation for 3-amino-1-ethylpyrazole-4-thiol?
The canonical SMILES for 3-amino-1-ethylpyrazole-4-thiol is CCn1cc(S)c(N)n1.
What is the InChIKey of 3-amino-1-ethylpyrazole-4-thiol?
The InChIKey is LPIJPJCFCGZXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-8-3-4(9)5(6)7-8/h3,9H,2H2,1H3,(H2,6,7).
What are the key properties of 3-amino-1-ethylpyrazole-4-thiol?
3-amino-1-ethylpyrazole-4-thiol has a molecular weight of 143.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethylpyrazole-4-thiol is sourced from PubChem (CID 166717856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).