2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol

C13H22N2O3 — CID 65350651

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)C2COCCO2)n1
InChIInChI=1S/C13H22N2O3/c1-3-10(2)15-5-4-11(14-15)8-12(16)13-9-17-6-7-18-13/h4-5,10,12-13,16H,3,6-9H2,1-2H3
InChIKeyXEKGYELCWWJOSS-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.17
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol (PubChem CID 65350651) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol
PubChem CID65350651
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)C2COCCO2)n1
InChIInChI=1S/C13H22N2O3/c1-3-10(2)15-5-4-11(14-15)8-12(16)13-9-17-6-7-18-13/h4-5,10,12-13,16H,3,6-9H2,1-2H3
InChIKeyXEKGYELCWWJOSS-UHFFFAOYSA-N
XLogP1.17
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol (CID 65350651) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol is CCC(C)n1ccc(CC(O)C2COCCO2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol?
The InChIKey is XEKGYELCWWJOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-10(2)15-5-4-11(14-15)8-12(16)13-9-17-6-7-18-13/h4-5,10,12-13,16H,3,6-9H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol has a molecular weight of 254.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol is sourced from PubChem (CID 65350651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).