2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C8H14N2O — CID 23005918

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CCO
InChIInChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3
InChIKeyQESMYIFDOLAREQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.57
Rot. Bonds2

About 2-(1,3,5-trimethylpyrazol-4-yl)ethanol

2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 23005918) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID23005918
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CCO
InChIInChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3
InChIKeyQESMYIFDOLAREQ-UHFFFAOYSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 23005918) is 2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1CCO.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is QESMYIFDOLAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3.
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 154.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 23005918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).