4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole

C11H10BrFN2O — CID 81496538

IUPAC4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
SMILESCn1cc(COc2cc(F)ccc2Br)cn1
InChIInChI=1S/C11H10BrFN2O/c1-15-6-8(5-14-15)7-16-11-4-9(13)2-3-10(11)12/h2-6H,7H2,1H3
InChIKeyAOIPVIWSRHDMJU-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.90
Rot. Bonds3

About 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole

4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole (PubChem CID 81496538) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
PubChem CID81496538
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
SMILESCn1cc(COc2cc(F)ccc2Br)cn1
InChIInChI=1S/C11H10BrFN2O/c1-15-6-8(5-14-15)7-16-11-4-9(13)2-3-10(11)12/h2-6H,7H2,1H3
InChIKeyAOIPVIWSRHDMJU-UHFFFAOYSA-N
XLogP2.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19627126
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CID 168526787
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-methylpyrazole
CID 62125859
potassium trifluoro-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 63675296
5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334136
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-methylpyrazole
CID 62126934
1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780374
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
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N-[[3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688660
1-[3,5-dibromo-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741879

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole?
The IUPAC name of 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole (CID 81496538) is 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole is Cn1cc(COc2cc(F)ccc2Br)cn1.
What is the InChIKey of 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole?
The InChIKey is AOIPVIWSRHDMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-15-6-8(5-14-15)7-16-11-4-9(13)2-3-10(11)12/h2-6H,7H2,1H3.
What are the key properties of 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole?
4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole has a molecular weight of 285.12 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole is sourced from PubChem (CID 81496538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).