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

C5H6BrFN2O — CID 165127293

IUPAC2-(4-bromopyrazol-1-yl)-2-fluoroethanol
SMILESOCC(F)n1cc(Br)cn1
InChIInChI=1S/C5H6BrFN2O/c6-4-1-8-9(2-4)5(7)3-10/h1-2,5,10H,3H2
InChIKeyWVVLEMIMIOGKLB-UHFFFAOYSA-N
MW209.02 g/mol
LogP1.11
Rot. Bonds2

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

2-(4-bromopyrazol-1-yl)-2-fluoroethanol (PubChem CID 165127293) has the molecular formula C5H6BrFN2O and a molecular weight of 209.02 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-2-fluoroethanol
PubChem CID165127293
Molecular FormulaC5H6BrFN2O
Molecular Weight209.02 g/mol
Exact Mass207.96
IUPAC Name2-(4-bromopyrazol-1-yl)-2-fluoroethanol
SMILESOCC(F)n1cc(Br)cn1
InChIInChI=1S/C5H6BrFN2O/c6-4-1-8-9(2-4)5(7)3-10/h1-2,5,10H,3H2
InChIKeyWVVLEMIMIOGKLB-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.02
LogP ≤ 51.11
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)-2-fluoroethanol?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-2-fluoroethanol (CID 165127293) is 2-(4-bromopyrazol-1-yl)-2-fluoroethanol.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-2-fluoroethanol?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-2-fluoroethanol is OCC(F)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-2-fluoroethanol?
The InChIKey is WVVLEMIMIOGKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2O/c6-4-1-8-9(2-4)5(7)3-10/h1-2,5,10H,3H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-2-fluoroethanol?
2-(4-bromopyrazol-1-yl)-2-fluoroethanol has a molecular weight of 209.02 g/mol, XLogP of 1.11, 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)-2-fluoroethanol is sourced from PubChem (CID 165127293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).