2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol

C10H18N2OS — CID 103130607

IUPAC2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol
SMILESCCC(C)SCC(O)c1ccn(C)n1
InChIInChI=1S/C10H18N2OS/c1-4-8(2)14-7-10(13)9-5-6-12(3)11-9/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyZMHADIARWWMFBG-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.99
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol

2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol (PubChem CID 103130607) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol
PubChem CID103130607
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol
SMILESCCC(C)SCC(O)c1ccn(C)n1
InChIInChI=1S/C10H18N2OS/c1-4-8(2)14-7-10(13)9-5-6-12(3)11-9/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyZMHADIARWWMFBG-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869244
3-[bis(ethylsulfanyl)methyl]-1-methylpyrazole
CID 3548225
[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227116
2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
CID 65136113
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 59693997
1-butan-2-ylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047831
2-amino-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 82595674
1-methyl-3-(1-methylsulfanylethyl)pyrazole
CID 138460770
(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride
CID 155905387
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
1-butan-2-ylsulfanyl-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008171
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol (CID 103130607) is 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol is CCC(C)SCC(O)c1ccn(C)n1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is ZMHADIARWWMFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-8(2)14-7-10(13)9-5-6-12(3)11-9/h5-6,8,10,13H,4,7H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol?
2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 214.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 103130607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).