1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol

C11H18N2O2 — CID 115780326

IUPAC1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCC1OCCC1C(O)Cc1cnn(C)c1
InChIInChI=1S/C11H18N2O2/c1-8-10(3-4-15-8)11(14)5-9-6-12-13(2)7-9/h6-8,10-11,14H,3-5H2,1-2H3
InChIKeyAHOSLCOMFIOUMK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds3

About 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol

1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115780326) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID115780326
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCC1OCCC1C(O)Cc1cnn(C)c1
InChIInChI=1S/C11H18N2O2/c1-8-10(3-4-15-8)11(14)5-9-6-12-13(2)7-9/h6-8,10-11,14H,3-5H2,1-2H3
InChIKeyAHOSLCOMFIOUMK-UHFFFAOYSA-N
XLogP0.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816524
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65411728
1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65402789
2-(1-methylbenzimidazol-2-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115818385
2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115804990
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780399
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192051
2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
CID 115821833
2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopropyl)ethanol
CID 65420821

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol (CID 115780326) is 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol is CC1OCCC1C(O)Cc1cnn(C)c1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is AHOSLCOMFIOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-10(3-4-15-8)11(14)5-9-6-12-13(2)7-9/h6-8,10-11,14H,3-5H2,1-2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115780326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).