2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol

C11H20N2O — CID 161307806

IUPAC2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol
SMILESCc1c(CCO)nn(C)c1C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-8-9(6-7-14)12-13(5)10(8)11(2,3)4/h14H,6-7H2,1-5H3
InChIKeyDGIMENHJZKAGJG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.56
Rot. Bonds2

About 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol

2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol (PubChem CID 161307806) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol
PubChem CID161307806
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol
SMILESCc1c(CCO)nn(C)c1C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-8-9(6-7-14)12-13(5)10(8)11(2,3)4/h14H,6-7H2,1-5H3
InChIKeyDGIMENHJZKAGJG-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-tert-butyl-1,4-dimethylpyrazol-3-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 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol (CID 161307806) is 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol is Cc1c(CCO)nn(C)c1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol?
The InChIKey is DGIMENHJZKAGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-9(6-7-14)12-13(5)10(8)11(2,3)4/h14H,6-7H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol?
2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol has a molecular weight of 196.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 161307806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).