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

C8H14N2O — CID 23005932

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(C)O
InChIInChI=1S/C8H14N2O/c1-5-8(7(3)11)6(2)10(4)9-5/h7,11H,1-4H3
InChIKeyQLXNNOQOYZJECH-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.09
Rot. Bonds1

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

1-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 23005932) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID23005932
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(C)O
InChIInChI=1S/C8H14N2O/c1-5-8(7(3)11)6(2)10(4)9-5/h7,11H,1-4H3
InChIKeyQLXNNOQOYZJECH-UHFFFAOYSA-N
XLogP1.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3,5-trimethylpyrazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 23005932) is 1-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1C(C)O.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is QLXNNOQOYZJECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-8(7(3)11)6(2)10(4)9-5/h7,11H,1-4H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 154.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 23005932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).