4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole

C11H10BrFN2O — CID 60588401

IUPAC4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole
SMILESFc1ccc(OCCn2cc(Br)cn2)cc1
InChIInChI=1S/C11H10BrFN2O/c12-9-7-14-15(8-9)5-6-16-11-3-1-10(13)2-4-11/h1-4,7-8H,5-6H2
InChIKeyIYBHASFWWCNMGU-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.86
Rot. Bonds4

About 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole

4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole (PubChem CID 60588401) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole
PubChem CID60588401
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole
SMILESFc1ccc(OCCn2cc(Br)cn2)cc1
InChIInChI=1S/C11H10BrFN2O/c12-9-7-14-15(8-9)5-6-16-11-3-1-10(13)2-4-11/h1-4,7-8H,5-6H2
InChIKeyIYBHASFWWCNMGU-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 4-bromo-1-[2-(4-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-fluorophenoxy)ethyl]pyrazol-4-amine
CID 50999569
4-[2-(4-bromopyrazol-1-yl)ethoxy]benzonitrile
CID 61036070
3-[2-(4-bromopyrazol-1-yl)ethoxy]benzonitrile
CID 54909741
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
4-(bromomethyl)-1-[2-(4-fluorophenoxy)ethyl]triazole
CID 62401793
1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]propan-1-one
CID 62728210
4-bromo-1-[[1-(2-phenoxyethyl)azetidin-3-yl]methyl]pyrazole
CID 154575757
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208753
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
N-[1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732152
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole?
The IUPAC name of 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole (CID 60588401) is 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole?
The canonical SMILES for 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole is Fc1ccc(OCCn2cc(Br)cn2)cc1.
What is the InChIKey of 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole?
The InChIKey is IYBHASFWWCNMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-9-7-14-15(8-9)5-6-16-11-3-1-10(13)2-4-11/h1-4,7-8H,5-6H2.
What are the key properties of 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole?
4-bromo-1-[2-(4-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 4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole is sourced from PubChem (CID 60588401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).