2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol

C8H14N2OS — CID 65131088

IUPAC2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol
SMILESCCSCC(O)c1ccnn1C
InChIInChI=1S/C8H14N2OS/c1-3-12-6-8(11)7-4-5-9-10(7)2/h4-5,8,11H,3,6H2,1-2H3
InChIKeyPCBKCYDPNKASCT-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.21
Rot. Bonds4

About 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol

2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 65131088) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID65131088
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol
SMILESCCSCC(O)c1ccnn1C
InChIInChI=1S/C8H14N2OS/c1-3-12-6-8(11)7-4-5-9-10(7)2/h4-5,8,11H,3,6H2,1-2H3
InChIKeyPCBKCYDPNKASCT-UHFFFAOYSA-N
XLogP1.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
CID 65134458
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
3-ethyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 114554038
2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 66144643
3-amino-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 82595670
3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 63961178
1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol
CID 65129474
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 105098269
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
CID 170825003
2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 63960739
N-methyl-1-(2-methylpyrazol-3-yl)-2-propylsulfanylethanamine
CID 65128677

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol (CID 65131088) is 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol is CCSCC(O)c1ccnn1C.
What is the InChIKey of 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is PCBKCYDPNKASCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-12-6-8(11)7-4-5-9-10(7)2/h4-5,8,11H,3,6H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 186.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 65131088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).