2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine

C9H15N3S — CID 84733495

IUPAC2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine
SMILESNCCc1ccnn1C1CCSC1
InChIInChI=1S/C9H15N3S/c10-4-1-8-2-5-11-12(8)9-3-6-13-7-9/h2,5,9H,1,3-4,6-7,10H2
InChIKeyVAHOOPGSOKKKRB-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.06
Rot. Bonds3

About 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine

2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine (PubChem CID 84733495) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine
PubChem CID84733495
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine
SMILESNCCc1ccnn1C1CCSC1
InChIInChI=1S/C9H15N3S/c10-4-1-8-2-5-11-12(8)9-3-6-13-7-9/h2,5,9H,1,3-4,6-7,10H2
InChIKeyVAHOOPGSOKKKRB-UHFFFAOYSA-N
XLogP1.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine (CID 84733495) is 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine is NCCc1ccnn1C1CCSC1.
What is the InChIKey of 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine?
The InChIKey is VAHOOPGSOKKKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-4-1-8-2-5-11-12(8)9-3-6-13-7-9/h2,5,9H,1,3-4,6-7,10H2.
What are the key properties of 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine?
2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine has a molecular weight of 197.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 84733495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).