2-(1H-pyrazol-4-yl)ethanol;hydrochloride

C5H9ClN2O — CID 44630823

IUPAC2-(1H-pyrazol-4-yl)ethanol;hydrochloride
SMILESCl.OCCc1cn[nH]c1
InChIInChI=1S/C5H8N2O.ClH/c8-2-1-5-3-6-7-4-5;/h3-4,8H,1-2H2,(H,6,7);1H
InChIKeyQXXXARHSHZEOIU-UHFFFAOYSA-N
MW148.59 g/mol
LogP0.37
Rot. Bonds2

About 2-(1H-pyrazol-4-yl)ethanol;hydrochloride

2-(1H-pyrazol-4-yl)ethanol;hydrochloride (PubChem CID 44630823) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)ethanol;hydrochloride
PubChem CID44630823
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name2-(1H-pyrazol-4-yl)ethanol;hydrochloride
SMILESCl.OCCc1cn[nH]c1
InChIInChI=1S/C5H8N2O.ClH/c8-2-1-5-3-6-7-4-5;/h3-4,8H,1-2H2,(H,6,7);1H
InChIKeyQXXXARHSHZEOIU-UHFFFAOYSA-N
XLogP0.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)ethanol;hydrochloride?
The IUPAC name of 2-(1H-pyrazol-4-yl)ethanol;hydrochloride (CID 44630823) is 2-(1H-pyrazol-4-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(1H-pyrazol-4-yl)ethanol;hydrochloride is Cl.OCCc1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)ethanol;hydrochloride?
The InChIKey is QXXXARHSHZEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c8-2-1-5-3-6-7-4-5;/h3-4,8H,1-2H2,(H,6,7);1H.
What are the key properties of 2-(1H-pyrazol-4-yl)ethanol;hydrochloride?
2-(1H-pyrazol-4-yl)ethanol;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)ethanol;hydrochloride is sourced from PubChem (CID 44630823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).