2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol

C12H22N2O — CID 59540032

IUPAC2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol
SMILESCC(C)c1cc(C(C)(C)C)nn1CCO
InChIInChI=1S/C12H22N2O/c1-9(2)10-8-11(12(3,4)5)13-14(10)6-7-15/h8-9,15H,6-7H2,1-5H3
InChIKeyVSEWFYYWYFXLGS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol

2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol (PubChem CID 59540032) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol
PubChem CID59540032
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol
SMILESCC(C)c1cc(C(C)(C)C)nn1CCO
InChIInChI=1S/C12H22N2O/c1-9(2)10-8-11(12(3,4)5)13-14(10)6-7-15/h8-9,15H,6-7H2,1-5H3
InChIKeyVSEWFYYWYFXLGS-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol (CID 59540032) is 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol is CC(C)c1cc(C(C)(C)C)nn1CCO.
What is the InChIKey of 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol?
The InChIKey is VSEWFYYWYFXLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)10-8-11(12(3,4)5)13-14(10)6-7-15/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol?
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol has a molecular weight of 210.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 59540032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).