6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol

C11H12BrN3O — CID 117453166

IUPAC6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol
SMILESCc1ccc(-c2cnn(C)c2N)c(O)c1Br
InChIInChI=1S/C11H12BrN3O/c1-6-3-4-7(10(16)9(6)12)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3
InChIKeyIMYFTOAIARVOES-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.45
Rot. Bonds1

About 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol

6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol (PubChem CID 117453166) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol
PubChem CID117453166
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol
SMILESCc1ccc(-c2cnn(C)c2N)c(O)c1Br
InChIInChI=1S/C11H12BrN3O/c1-6-3-4-7(10(16)9(6)12)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3
InChIKeyIMYFTOAIARVOES-UHFFFAOYSA-N
XLogP2.45
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol?
The IUPAC name of 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol (CID 117453166) is 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol.
What is the SMILES notation for 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol?
The canonical SMILES for 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol is Cc1ccc(-c2cnn(C)c2N)c(O)c1Br.
What is the InChIKey of 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol?
The InChIKey is IMYFTOAIARVOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-6-3-4-7(10(16)9(6)12)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3.
What are the key properties of 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol?
6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol has a molecular weight of 282.14 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol is sourced from PubChem (CID 117453166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).