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

C12H20N2O3 — CID 65351069

IUPAC1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)C2COCCO2)n1
InChIInChI=1S/C12H20N2O3/c1-9(2)14-4-3-10(13-14)7-11(15)12-8-16-5-6-17-12/h3-4,9,11-12,15H,5-8H2,1-2H3
InChIKeyJXKDGGJOZXECTQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.78
Rot. Bonds4

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

1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 65351069) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID65351069
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)C2COCCO2)n1
InChIInChI=1S/C12H20N2O3/c1-9(2)14-4-3-10(13-14)7-11(15)12-8-16-5-6-17-12/h3-4,9,11-12,15H,5-8H2,1-2H3
InChIKeyJXKDGGJOZXECTQ-UHFFFAOYSA-N
XLogP0.78
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 65351069) is 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)C2COCCO2)n1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is JXKDGGJOZXECTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(2)14-4-3-10(13-14)7-11(15)12-8-16-5-6-17-12/h3-4,9,11-12,15H,5-8H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 240.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 65351069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).