2-(4-chloro-5-methylpyrazol-1-yl)ethanol

C6H9ClN2O — CID 19621870

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)ethanol
SMILESCc1c(Cl)cnn1CCO
InChIInChI=1S/C6H9ClN2O/c1-5-6(7)4-8-9(5)2-3-10/h4,10H,2-3H2,1H3
InChIKeyAWGOGOULOYVJPZ-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.84
Rot. Bonds2

About 2-(4-chloro-5-methylpyrazol-1-yl)ethanol

2-(4-chloro-5-methylpyrazol-1-yl)ethanol (PubChem CID 19621870) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)ethanol
PubChem CID19621870
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)ethanol
SMILESCc1c(Cl)cnn1CCO
InChIInChI=1S/C6H9ClN2O/c1-5-6(7)4-8-9(5)2-3-10/h4,10H,2-3H2,1H3
InChIKeyAWGOGOULOYVJPZ-UHFFFAOYSA-N
XLogP0.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)ethanol (CID 19621870) is 2-(4-chloro-5-methylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)ethanol is Cc1c(Cl)cnn1CCO.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)ethanol?
The InChIKey is AWGOGOULOYVJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c1-5-6(7)4-8-9(5)2-3-10/h4,10H,2-3H2,1H3.
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)ethanol?
2-(4-chloro-5-methylpyrazol-1-yl)ethanol has a molecular weight of 160.60 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)ethanol is sourced from PubChem (CID 19621870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).