2-(4-chloropyrazol-1-yl)ethanol

C5H7ClN2O — CID 7172186

IUPAC2-(4-chloropyrazol-1-yl)ethanol
SMILESOCCn1cc(Cl)cn1
InChIInChI=1S/C5H7ClN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
InChIKeyNDSOARMOYKGJDO-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.53
Rot. Bonds2

About 2-(4-chloropyrazol-1-yl)ethanol

2-(4-chloropyrazol-1-yl)ethanol (PubChem CID 7172186) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)ethanol
PubChem CID7172186
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name2-(4-chloropyrazol-1-yl)ethanol
SMILESOCCn1cc(Cl)cn1
InChIInChI=1S/C5H7ClN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
InChIKeyNDSOARMOYKGJDO-UHFFFAOYSA-N
XLogP0.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-chloropyrazol-1-yl)ethanol (CID 7172186) is 2-(4-chloropyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)ethanol is OCCn1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)ethanol?
The InChIKey is NDSOARMOYKGJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2.
What are the key properties of 2-(4-chloropyrazol-1-yl)ethanol?
2-(4-chloropyrazol-1-yl)ethanol has a molecular weight of 146.58 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)ethanol is sourced from PubChem (CID 7172186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).