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

C11H12BrN3O2 — CID 117479831

IUPAC3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
SMILESCOc1c(O)ccc(Br)c1-c1cc(N)n(C)n1
InChIInChI=1S/C11H12BrN3O2/c1-15-9(13)5-7(14-15)10-6(12)3-4-8(16)11(10)17-2/h3-5,16H,13H2,1-2H3
InChIKeyASAWAXFORIIQCH-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.15
Rot. Bonds2

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

3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol (PubChem CID 117479831) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
PubChem CID117479831
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
SMILESCOc1c(O)ccc(Br)c1-c1cc(N)n(C)n1
InChIInChI=1S/C11H12BrN3O2/c1-15-9(13)5-7(14-15)10-6(12)3-4-8(16)11(10)17-2/h3-5,16H,13H2,1-2H3
InChIKeyASAWAXFORIIQCH-UHFFFAOYSA-N
XLogP2.15
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117413350
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
4-(5-amino-1-methylpyrazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 137003446
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol?
The IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol (CID 117479831) is 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol is COc1c(O)ccc(Br)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol?
The InChIKey is ASAWAXFORIIQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-15-9(13)5-7(14-15)10-6(12)3-4-8(16)11(10)17-2/h3-5,16H,13H2,1-2H3.
What are the key properties of 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol?
3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol has a molecular weight of 298.14 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol is sourced from PubChem (CID 117479831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).