2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol

C8H14N2O — CID 83674672

IUPAC2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol
SMILESCC(C)c1[nH]ncc1CCO
InChIInChI=1S/C8H14N2O/c1-6(2)8-7(3-4-11)5-9-10-8/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyDTWOTIHYNXAZSM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.07
Rot. Bonds3

About 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol

2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol (PubChem CID 83674672) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol
PubChem CID83674672
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol
SMILESCC(C)c1[nH]ncc1CCO
InChIInChI=1S/C8H14N2O/c1-6(2)8-7(3-4-11)5-9-10-8/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyDTWOTIHYNXAZSM-UHFFFAOYSA-N
XLogP1.07
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol (CID 83674672) is 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol is CC(C)c1[nH]ncc1CCO.
What is the InChIKey of 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The InChIKey is DTWOTIHYNXAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)8-7(3-4-11)5-9-10-8/h5-6,11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol?
2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol has a molecular weight of 154.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 83674672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).