1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole

C11H10BrFN2O — CID 80964955

IUPAC1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole
SMILESFc1cc(Br)cc(OCCn2cccn2)c1
InChIInChI=1S/C11H10BrFN2O/c12-9-6-10(13)8-11(7-9)16-5-4-15-3-1-2-14-15/h1-3,6-8H,4-5H2
InChIKeyHXIMUCYPTROBPV-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole

1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole (PubChem CID 80964955) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole
PubChem CID80964955
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole
SMILESFc1cc(Br)cc(OCCn2cccn2)c1
InChIInChI=1S/C11H10BrFN2O/c12-9-6-10(13)8-11(7-9)16-5-4-15-3-1-2-14-15/h1-3,6-8H,4-5H2
InChIKeyHXIMUCYPTROBPV-UHFFFAOYSA-N
XLogP2.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
4-[3-fluoro-5-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
CID 81326130
[1-[2-(3-bromo-5-fluorophenoxy)ethyl]triazol-4-yl]methanamine
CID 81325927
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidine-2,5-dione
CID 99824963
1-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]pyrazole
CID 102674559
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
CID 81331369
1-bromo-3-(2-ethylsulfanylethoxy)-5-fluorobenzene
CID 115967756
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine
CID 120966058
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120966208
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole (CID 80964955) is 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole is Fc1cc(Br)cc(OCCn2cccn2)c1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole?
The InChIKey is HXIMUCYPTROBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-9-6-10(13)8-11(7-9)16-5-4-15-3-1-2-14-15/h1-3,6-8H,4-5H2.
What are the key properties of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole?
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole has a molecular weight of 285.12 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole is sourced from PubChem (CID 80964955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).