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

C11H12BrN3O2 — CID 136966320

IUPAC4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
SMILESCOc1cc(-c2cc(N)n(C)n2)c(Br)cc1O
InChIInChI=1S/C11H12BrN3O2/c1-15-11(13)5-8(14-15)6-3-10(17-2)9(16)4-7(6)12/h3-5,16H,13H2,1-2H3
InChIKeyXSYSWJJMSXFCJG-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.15
Rot. Bonds2

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

4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol (PubChem CID 136966320) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
PubChem CID136966320
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
SMILESCOc1cc(-c2cc(N)n(C)n2)c(Br)cc1O
InChIInChI=1S/C11H12BrN3O2/c1-15-11(13)5-8(14-15)6-3-10(17-2)9(16)4-7(6)12/h3-5,16H,13H2,1-2H3
InChIKeyXSYSWJJMSXFCJG-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

4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
CID 117479831
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117478815
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol (CID 136966320) is 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol is COc1cc(-c2cc(N)n(C)n2)c(Br)cc1O.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol?
The InChIKey is XSYSWJJMSXFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-15-11(13)5-8(14-15)6-3-10(17-2)9(16)4-7(6)12/h3-5,16H,13H2,1-2H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol?
4-(5-amino-1-methylpyrazol-3-yl)-5-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 4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol is sourced from PubChem (CID 136966320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).