1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine

C8H13N3OS — CID 79326725

IUPAC1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCSC2COC2)c1
InChIInChI=1S/C8H13N3OS/c9-7-3-10-11(4-7)1-2-13-8-5-12-6-8/h3-4,8H,1-2,5-6,9H2
InChIKeyPAHFRAAYITWZER-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.60
Rot. Bonds4

About 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine

1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine (PubChem CID 79326725) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine
PubChem CID79326725
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCSC2COC2)c1
InChIInChI=1S/C8H13N3OS/c9-7-3-10-11(4-7)1-2-13-8-5-12-6-8/h3-4,8H,1-2,5-6,9H2
InChIKeyPAHFRAAYITWZER-UHFFFAOYSA-N
XLogP0.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine (CID 79326725) is 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine is Nc1cnn(CCSC2COC2)c1.
What is the InChIKey of 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine?
The InChIKey is PAHFRAAYITWZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c9-7-3-10-11(4-7)1-2-13-8-5-12-6-8/h3-4,8H,1-2,5-6,9H2.
What are the key properties of 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine?
1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine has a molecular weight of 199.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxetan-3-ylsulfanyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 79326725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).