2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine

C11H15N3S — CID 121211971

IUPAC2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
SMILESCCc1cc(-c2ccsc2)nn1CCN
InChIInChI=1S/C11H15N3S/c1-2-10-7-11(9-3-6-15-8-9)13-14(10)5-4-12/h3,6-8H,2,4-5,12H2,1H3
InChIKeyQTAOEPWJBSFPHK-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.13
Rot. Bonds4

About 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine

2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine (PubChem CID 121211971) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
PubChem CID121211971
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
SMILESCCc1cc(-c2ccsc2)nn1CCN
InChIInChI=1S/C11H15N3S/c1-2-10-7-11(9-3-6-15-8-9)13-14(10)5-4-12/h3,6-8H,2,4-5,12H2,1H3
InChIKeyQTAOEPWJBSFPHK-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine (CID 121211971) is 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine is CCc1cc(-c2ccsc2)nn1CCN.
What is the InChIKey of 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine?
The InChIKey is QTAOEPWJBSFPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-10-7-11(9-3-6-15-8-9)13-14(10)5-4-12/h3,6-8H,2,4-5,12H2,1H3.
What are the key properties of 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine?
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 121211971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).