2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol

C7H11BrN2O2 — CID 61071655

IUPAC2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol
SMILESOCCOCCn1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O2/c8-7-5-9-10(6-7)1-3-12-4-2-11/h5-6,11H,1-4H2
InChIKeyYNOGKDMQKJUCJP-UHFFFAOYSA-N
MW235.08 g/mol
LogP0.65
Rot. Bonds5

About 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol

2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol (PubChem CID 61071655) has the molecular formula C7H11BrN2O2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol
PubChem CID61071655
Molecular FormulaC7H11BrN2O2
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol
SMILESOCCOCCn1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O2/c8-7-5-9-10(6-7)1-3-12-4-2-11/h5-6,11H,1-4H2
InChIKeyYNOGKDMQKJUCJP-UHFFFAOYSA-N
XLogP0.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol (CID 61071655) is 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol is OCCOCCn1cc(Br)cn1.
What is the InChIKey of 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol?
The InChIKey is YNOGKDMQKJUCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2/c8-7-5-9-10(6-7)1-3-12-4-2-11/h5-6,11H,1-4H2.
What are the key properties of 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol?
2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol has a molecular weight of 235.08 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 61071655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).