2-(3-tert-butylpyrazol-1-yl)ethanol

C9H16N2O — CID 53216845

IUPAC2-(3-tert-butylpyrazol-1-yl)ethanol
SMILESCC(C)(C)c1ccn(CCO)n1
InChIInChI=1S/C9H16N2O/c1-9(2,3)8-4-5-11(10-8)6-7-12/h4-5,12H,6-7H2,1-3H3
InChIKeyIBOFWWFXTWVQTR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.17
Rot. Bonds2

About 2-(3-tert-butylpyrazol-1-yl)ethanol

2-(3-tert-butylpyrazol-1-yl)ethanol (PubChem CID 53216845) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-yl)ethanol
PubChem CID53216845
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(3-tert-butylpyrazol-1-yl)ethanol
SMILESCC(C)(C)c1ccn(CCO)n1
InChIInChI=1S/C9H16N2O/c1-9(2,3)8-4-5-11(10-8)6-7-12/h4-5,12H,6-7H2,1-3H3
InChIKeyIBOFWWFXTWVQTR-UHFFFAOYSA-N
XLogP1.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(3-tert-butylpyrazol-1-yl)ethanol (CID 53216845) is 2-(3-tert-butylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-yl)ethanol is CC(C)(C)c1ccn(CCO)n1.
What is the InChIKey of 2-(3-tert-butylpyrazol-1-yl)ethanol?
The InChIKey is IBOFWWFXTWVQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,3)8-4-5-11(10-8)6-7-12/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 2-(3-tert-butylpyrazol-1-yl)ethanol?
2-(3-tert-butylpyrazol-1-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-yl)ethanol is sourced from PubChem (CID 53216845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).