[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol

C10H11FN2OS — CID 121211171

IUPAC[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol
SMILESOCc1cc(-c2ccsc2)nn1CCF
InChIInChI=1S/C10H11FN2OS/c11-2-3-13-9(6-14)5-10(12-13)8-1-4-15-7-8/h1,4-5,7,14H,2-3,6H2
InChIKeyXOYWELHPAZLZHF-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.07
Rot. Bonds4

About [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol

[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol (PubChem CID 121211171) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol
PubChem CID121211171
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol
SMILESOCc1cc(-c2ccsc2)nn1CCF
InChIInChI=1S/C10H11FN2OS/c11-2-3-13-9(6-14)5-10(12-13)8-1-4-15-7-8/h1,4-5,7,14H,2-3,6H2
InChIKeyXOYWELHPAZLZHF-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol?
The IUPAC name of [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol (CID 121211171) is [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol.
What is the SMILES notation for [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol?
The canonical SMILES for [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol is OCc1cc(-c2ccsc2)nn1CCF.
What is the InChIKey of [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol?
The InChIKey is XOYWELHPAZLZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c11-2-3-13-9(6-14)5-10(12-13)8-1-4-15-7-8/h1,4-5,7,14H,2-3,6H2.
What are the key properties of [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol?
[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol has a molecular weight of 226.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]methanol is sourced from PubChem (CID 121211171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).