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

C5H7BrN2O — CID 16640642

IUPAC2-(4-bromopyrazol-1-yl)ethanol
SMILESOCCn1cc(Br)cn1
InChIInChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
InChIKeyREUWXYIZJBMWPB-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.64
Rot. Bonds2

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

2-(4-bromopyrazol-1-yl)ethanol (PubChem CID 16640642) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)ethanol
PubChem CID16640642
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name2-(4-bromopyrazol-1-yl)ethanol
SMILESOCCn1cc(Br)cn1
InChIInChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
InChIKeyREUWXYIZJBMWPB-UHFFFAOYSA-N
XLogP0.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-bromopyrazol-1-yl)ethanol (CID 16640642) is 2-(4-bromopyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)ethanol is OCCn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)ethanol?
The InChIKey is REUWXYIZJBMWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)ethanol?
2-(4-bromopyrazol-1-yl)ethanol has a molecular weight of 191.03 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)ethanol is sourced from PubChem (CID 16640642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).