2-(2-propan-2-ylpyrazol-3-yl)ethanol

C8H14N2O — CID 83390687

IUPAC2-(2-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1nccc1CCO
InChIInChI=1S/C8H14N2O/c1-7(2)10-8(4-6-11)3-5-9-10/h3,5,7,11H,4,6H2,1-2H3
InChIKeyTZAGEYUFEAHVOE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.00
Rot. Bonds3

About 2-(2-propan-2-ylpyrazol-3-yl)ethanol

2-(2-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 83390687) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(2-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID83390687
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(2-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1nccc1CCO
InChIInChI=1S/C8H14N2O/c1-7(2)10-8(4-6-11)3-5-9-10/h3,5,7,11H,4,6H2,1-2H3
InChIKeyTZAGEYUFEAHVOE-UHFFFAOYSA-N
XLogP1.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-propan-2-ylpyrazol-3-yl)ethanol (CID 83390687) is 2-(2-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1nccc1CCO.
What is the InChIKey of 2-(2-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is TZAGEYUFEAHVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)10-8(4-6-11)3-5-9-10/h3,5,7,11H,4,6H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylpyrazol-3-yl)ethanol?
2-(2-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 154.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 83390687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).