2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

C14H15F3N2OS — CID 63895875

IUPAC2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESCCn1cc(CC(O)c2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H15F3N2OS/c1-2-19-9-10(8-18-19)7-13(20)11-3-5-12(6-4-11)21-14(15,16)17/h3-6,8-9,13,20H,2,7H2,1H3
InChIKeyZILADNPDAFAWAP-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.79
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 63895875) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID63895875
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESCCn1cc(CC(O)c2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H15F3N2OS/c1-2-19-9-10(8-18-19)7-13(20)11-3-5-12(6-4-11)21-14(15,16)17/h3-6,8-9,13,20H,2,7H2,1H3
InChIKeyZILADNPDAFAWAP-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (CID 63895875) is 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is CCn1cc(CC(O)c2ccc(SC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is ZILADNPDAFAWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-19-9-10(8-18-19)7-13(20)11-3-5-12(6-4-11)21-14(15,16)17/h3-6,8-9,13,20H,2,7H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 316.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63895875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).