2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol

C9H10FN3OS — CID 165499716

IUPAC2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol
SMILESNc1c(F)c(-c2ccsc2)nn1CCO
InChIInChI=1S/C9H10FN3OS/c10-7-8(6-1-4-15-5-6)12-13(2-3-14)9(7)11/h1,4-5,14H,2-3,11H2
InChIKeyFUUTXIUUFFNTST-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.33
Rot. Bonds3

About 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol

2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol (PubChem CID 165499716) has the molecular formula C9H10FN3OS and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol
PubChem CID165499716
Molecular FormulaC9H10FN3OS
Molecular Weight227.26 g/mol
Exact Mass227.05
IUPAC Name2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol
SMILESNc1c(F)c(-c2ccsc2)nn1CCO
InChIInChI=1S/C9H10FN3OS/c10-7-8(6-1-4-15-5-6)12-13(2-3-14)9(7)11/h1,4-5,14H,2-3,11H2
InChIKeyFUUTXIUUFFNTST-UHFFFAOYSA-N
XLogP1.33
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol (CID 165499716) is 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol is Nc1c(F)c(-c2ccsc2)nn1CCO.
What is the InChIKey of 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol?
The InChIKey is FUUTXIUUFFNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3OS/c10-7-8(6-1-4-15-5-6)12-13(2-3-14)9(7)11/h1,4-5,14H,2-3,11H2.
What are the key properties of 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol?
2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol has a molecular weight of 227.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-fluoro-3-thiophen-3-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 165499716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).