2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C10H15F3N2OS — CID 86814697

IUPAC2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCCSCCn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2OS/c1-2-17-6-4-15-7-8(3-5-16)9(14-15)10(11,12)13/h7,16H,2-6H2,1H3
InChIKeyKGFNOGKZAYFEJJ-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.19
Rot. Bonds6

About 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 86814697) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID86814697
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCCSCCn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2OS/c1-2-17-6-4-15-7-8(3-5-16)9(14-15)10(11,12)13/h7,16H,2-6H2,1H3
InChIKeyKGFNOGKZAYFEJJ-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 86814697) is 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol is CCSCCn1cc(CCO)c(C(F)(F)F)n1.
What is the InChIKey of 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is KGFNOGKZAYFEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-2-17-6-4-15-7-8(3-5-16)9(14-15)10(11,12)13/h7,16H,2-6H2,1H3.
What are the key properties of 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 268.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 86814697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).