3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole

C11H10Br2N2O — CID 159067473

IUPAC3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
SMILESCn1ccc(OCc2c(Br)cccc2Br)n1
InChIInChI=1S/C11H10Br2N2O/c1-15-6-5-11(14-15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
InChIKeyJZFXEOOTMUYKKS-UHFFFAOYSA-N
MW346.02 g/mol
LogP3.52
Rot. Bonds3

About 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole

3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole (PubChem CID 159067473) has the molecular formula C11H10Br2N2O and a molecular weight of 346.02 g/mol. Its IUPAC name is 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
PubChem CID159067473
Molecular FormulaC11H10Br2N2O
Molecular Weight346.02 g/mol
Exact Mass343.92
IUPAC Name3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
SMILESCn1ccc(OCc2c(Br)cccc2Br)n1
InChIInChI=1S/C11H10Br2N2O/c1-15-6-5-11(14-15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
InChIKeyJZFXEOOTMUYKKS-UHFFFAOYSA-N
XLogP3.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
CID 158886137
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
3-bromo-N-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 159230943
3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide
CID 159780699
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
CID 153085603
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 147911483
3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole
CID 149409228
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
N-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide
CID 157459494
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
CID 160628242

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole?
The IUPAC name of 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole (CID 159067473) is 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole?
The canonical SMILES for 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole is Cn1ccc(OCc2c(Br)cccc2Br)n1.
What is the InChIKey of 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole?
The InChIKey is JZFXEOOTMUYKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O/c1-15-6-5-11(14-15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3.
What are the key properties of 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole?
3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole has a molecular weight of 346.02 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 159067473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).