5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole

C11H10BrFN2O — CID 117232705

IUPAC5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole
SMILESCOc1cnn(Cc2ccc(F)cc2)c1Br
InChIInChI=1S/C11H10BrFN2O/c1-16-10-6-14-15(11(10)12)7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyLMLBBWBQZOIHMG-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.84
Rot. Bonds3

About 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole

5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole (PubChem CID 117232705) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole.

Molecular Properties

Compound Name5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole
PubChem CID117232705
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole
SMILESCOc1cnn(Cc2ccc(F)cc2)c1Br
InChIInChI=1S/C11H10BrFN2O/c1-16-10-6-14-15(11(10)12)7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyLMLBBWBQZOIHMG-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-4-methoxypyrazol-1-yl)ethanol
CID 117231747
1-[(4-fluorophenyl)methyl]-5-methoxypyrazole-4-carboxylic acid
CID 115069336
5-bromo-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231715
5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
CID 21106824
5-bromo-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]triazole
CID 166068450
2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639086
2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid
CID 46398734
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654
4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
CID 13373245

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole?
The IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole (CID 117232705) is 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole.
What is the SMILES notation for 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole?
The canonical SMILES for 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole is COc1cnn(Cc2ccc(F)cc2)c1Br.
What is the InChIKey of 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole?
The InChIKey is LMLBBWBQZOIHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-16-10-6-14-15(11(10)12)7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole?
5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole has a molecular weight of 285.12 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole is sourced from PubChem (CID 117232705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).