1-(1H-pyrazol-4-yl)ethanol

C5H8N2O — CID 62731702

IUPAC1-(1H-pyrazol-4-yl)ethanol
SMILESCC(O)c1cn[nH]c1
InChIInChI=1S/C5H8N2O/c1-4(8)5-2-6-7-3-5/h2-4,8H,1H3,(H,6,7)
InChIKeyGGPILYBGTQJNOK-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.46
Rot. Bonds1

About 1-(1H-pyrazol-4-yl)ethanol

1-(1H-pyrazol-4-yl)ethanol (PubChem CID 62731702) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)ethanol
PubChem CID62731702
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-(1H-pyrazol-4-yl)ethanol
SMILESCC(O)c1cn[nH]c1
InChIInChI=1S/C5H8N2O/c1-4(8)5-2-6-7-3-5/h2-4,8H,1H3,(H,6,7)
InChIKeyGGPILYBGTQJNOK-UHFFFAOYSA-N
XLogP0.46
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)ethanol?
The IUPAC name of 1-(1H-pyrazol-4-yl)ethanol (CID 62731702) is 1-(1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1H-pyrazol-4-yl)ethanol is CC(O)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)ethanol?
The InChIKey is GGPILYBGTQJNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4(8)5-2-6-7-3-5/h2-4,8H,1H3,(H,6,7).
What are the key properties of 1-(1H-pyrazol-4-yl)ethanol?
1-(1H-pyrazol-4-yl)ethanol has a molecular weight of 112.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 62731702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).