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

C11H18N2OS — CID 105121142

IUPAC2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol
SMILESCn1ccc(CC(O)C2(C)CCCS2)n1
InChIInChI=1S/C11H18N2OS/c1-11(5-3-7-15-11)10(14)8-9-4-6-13(2)12-9/h4,6,10,14H,3,5,7-8H2,1-2H3
InChIKeyUKUIPDMBRBFBDD-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.61
Rot. Bonds3

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

2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol (PubChem CID 105121142) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol
PubChem CID105121142
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol
SMILESCn1ccc(CC(O)C2(C)CCCS2)n1
InChIInChI=1S/C11H18N2OS/c1-11(5-3-7-15-11)10(14)8-9-4-6-13(2)12-9/h4,6,10,14H,3,5,7-8H2,1-2H3
InChIKeyUKUIPDMBRBFBDD-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105175075
1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828785
1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 104610403
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105106780
N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 103134725
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105153637
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105126484
2-amino-1-(2-methylthiolan-2-yl)ethanol
CID 115012704
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol (CID 105121142) is 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol is Cn1ccc(CC(O)C2(C)CCCS2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol?
The InChIKey is UKUIPDMBRBFBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(5-3-7-15-11)10(14)8-9-4-6-13(2)12-9/h4,6,10,14H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol?
2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol is sourced from PubChem (CID 105121142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).