2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol

C15H20N2OS — CID 141366811

IUPAC2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
SMILESCC(C)(C)c1ccn(-c2cccc(SCCO)c2)n1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)14-7-8-17(16-14)12-5-4-6-13(11-12)19-10-9-18/h4-8,11,18H,9-10H2,1-3H3
InChIKeyJYKAAFRQEBUVJA-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.25
Rot. Bonds4

About 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol

2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol (PubChem CID 141366811) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
PubChem CID141366811
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
SMILESCC(C)(C)c1ccn(-c2cccc(SCCO)c2)n1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)14-7-8-17(16-14)12-5-4-6-13(11-12)19-10-9-18/h4-8,11,18H,9-10H2,1-3H3
InChIKeyJYKAAFRQEBUVJA-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
CID 141366787
2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol
CID 141134073
2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol
CID 141134717
[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
CID 146511965
2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol
CID 141421970
2-[3-(3,3-dimethylbutylsulfanyl)phenyl]sulfanylethanol
CID 158437250
3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
CID 141095327
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine
CID 141366794
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine
CID 141422239
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887
3-[(1-phenylpyrazol-3-yl)methylsulfanyl]phenol
CID 104590475
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol?
The IUPAC name of 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol (CID 141366811) is 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol.
What is the SMILES notation for 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol?
The canonical SMILES for 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol is CC(C)(C)c1ccn(-c2cccc(SCCO)c2)n1.
What is the InChIKey of 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol?
The InChIKey is JYKAAFRQEBUVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)14-7-8-17(16-14)12-5-4-6-13(11-12)19-10-9-18/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol?
2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol has a molecular weight of 276.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol is sourced from PubChem (CID 141366811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).