1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol

C8H11F3N2OS — CID 116618005

IUPAC1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(CCSC(F)(F)F)c1
InChIInChI=1S/C8H11F3N2OS/c1-6(14)7-4-12-13(5-7)2-3-15-8(9,10)11/h4-6,14H,2-3H2,1H3
InChIKeyQBJWJBRNXRQBLI-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.19
Rot. Bonds4

About 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol

1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol (PubChem CID 116618005) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol
PubChem CID116618005
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(CCSC(F)(F)F)c1
InChIInChI=1S/C8H11F3N2OS/c1-6(14)7-4-12-13(5-7)2-3-15-8(9,10)11/h4-6,14H,2-3H2,1H3
InChIKeyQBJWJBRNXRQBLI-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol (CID 116618005) is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol is CC(O)c1cnn(CCSC(F)(F)F)c1.
What is the InChIKey of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol?
The InChIKey is QBJWJBRNXRQBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-6(14)7-4-12-13(5-7)2-3-15-8(9,10)11/h4-6,14H,2-3H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol?
1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol has a molecular weight of 240.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 116618005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).