2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol

C11H13FN2OS — CID 121213892

IUPAC2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol
SMILESOCCc1cn(CCF)nc1-c1ccsc1
InChIInChI=1S/C11H13FN2OS/c12-3-4-14-7-9(1-5-15)11(13-14)10-2-6-16-8-10/h2,6-8,15H,1,3-5H2
InChIKeyZMCVWRPOLLSMGO-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol

2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol (PubChem CID 121213892) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol
PubChem CID121213892
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol
SMILESOCCc1cn(CCF)nc1-c1ccsc1
InChIInChI=1S/C11H13FN2OS/c12-3-4-14-7-9(1-5-15)11(13-14)10-2-6-16-8-10/h2,6-8,15H,1,3-5H2
InChIKeyZMCVWRPOLLSMGO-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol (CID 121213892) is 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol is OCCc1cn(CCF)nc1-c1ccsc1.
What is the InChIKey of 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol?
The InChIKey is ZMCVWRPOLLSMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-3-4-14-7-9(1-5-15)11(13-14)10-2-6-16-8-10/h2,6-8,15H,1,3-5H2.
What are the key properties of 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol?
2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol has a molecular weight of 240.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]ethanol is sourced from PubChem (CID 121213892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).