5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole

C11H11BrN2O — CID 84711805

IUPAC5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2cc(Br)n(C)n2)cc1
InChIInChI=1S/C11H11BrN2O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3
InChIKeyODOYJAQVGYDKBG-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.86
Rot. Bonds2

About 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole

5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole (PubChem CID 84711805) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
PubChem CID84711805
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2cc(Br)n(C)n2)cc1
InChIInChI=1S/C11H11BrN2O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3
InChIKeyODOYJAQVGYDKBG-UHFFFAOYSA-N
XLogP2.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole (CID 84711805) is 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole is COc1ccc(-c2cc(Br)n(C)n2)cc1.
What is the InChIKey of 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole?
The InChIKey is ODOYJAQVGYDKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3.
What are the key properties of 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole?
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole has a molecular weight of 267.13 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 84711805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).