2-(3,5-Ditert-butylpyrazol-1-yl)ethanol

C13H24N2O — CID 43531678

IUPAC2-(3,5-ditert-butylpyrazol-1-yl)ethanol
SMILESCC(C)(C)C1=CC(=NN1CCO)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-12(2,3)10-9-11(13(4,5)6)15(14-10)7-8-16/h9,16H,7-8H2,1-6H3
InChIKeyRQVTTZQLVJBHBO-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.90
Rot. Bonds4

About 2-(3,5-Ditert-butylpyrazol-1-yl)ethanol

2-(3,5-Ditert-butylpyrazol-1-yl)ethanol (PubChem CID 43531678) has the molecular formula C13H24N2O and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(3,5-ditert-butylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
PubChem CID43531678
Molecular FormulaC13H24N2O
Molecular Weight224.34 g/mol
Exact Mass224.19
IUPAC Name2-(3,5-ditert-butylpyrazol-1-yl)ethanol
SMILESCC(C)(C)C1=CC(=NN1CCO)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-12(2,3)10-9-11(13(4,5)6)15(14-10)7-8-16/h9,16H,7-8H2,1-6H3
InChIKeyRQVTTZQLVJBHBO-UHFFFAOYSA-N
XLogP2.90
TPSA38.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-Ditert-butylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(3,5-Ditert-butylpyrazol-1-yl)ethanol (CID 43531678) is 2-(3,5-ditert-butylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(3,5-Ditert-butylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(3,5-Ditert-butylpyrazol-1-yl)ethanol is CC(C)(C)C1=CC(=NN1CCO)C(C)(C)C.
What is the InChIKey of 2-(3,5-Ditert-butylpyrazol-1-yl)ethanol?
The InChIKey is RQVTTZQLVJBHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)10-9-11(13(4,5)6)15(14-10)7-8-16/h9,16H,7-8H2,1-6H3.
What are the key properties of 2-(3,5-Ditert-butylpyrazol-1-yl)ethanol?
2-(3,5-Ditert-butylpyrazol-1-yl)ethanol has a molecular weight of 224.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-Ditert-butylpyrazol-1-yl)ethanol is sourced from PubChem (CID 43531678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).