2-(4-methylpyrazol-1-yl)ethanol;hydrochloride

C6H11ClN2O — CID 53433651

IUPAC2-(4-methylpyrazol-1-yl)ethanol;hydrochloride
SMILESCc1cnn(CCO)c1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-6-4-7-8(5-6)2-3-9;/h4-5,9H,2-3H2,1H3;1H
InChIKeyHPMKHDQXTDXHKG-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.61
Rot. Bonds2

About 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride

2-(4-methylpyrazol-1-yl)ethanol;hydrochloride (PubChem CID 53433651) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)ethanol;hydrochloride
PubChem CID53433651
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name2-(4-methylpyrazol-1-yl)ethanol;hydrochloride
SMILESCc1cnn(CCO)c1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-6-4-7-8(5-6)2-3-9;/h4-5,9H,2-3H2,1H3;1H
InChIKeyHPMKHDQXTDXHKG-UHFFFAOYSA-N
XLogP0.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride?
The IUPAC name of 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride (CID 53433651) is 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride is Cc1cnn(CCO)c1.Cl.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride?
The InChIKey is HPMKHDQXTDXHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c1-6-4-7-8(5-6)2-3-9;/h4-5,9H,2-3H2,1H3;1H.
What are the key properties of 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride?
2-(4-methylpyrazol-1-yl)ethanol;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 53433651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).