3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine

C11H12BrN3O — CID 117453066

IUPAC3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cccc(Br)c1-c1cc(N)n(C)n1
InChIInChI=1S/C11H12BrN3O/c1-15-10(13)6-8(14-15)11-7(12)4-3-5-9(11)16-2/h3-6H,13H2,1-2H3
InChIKeyJIMPRBZPIFBIMO-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.44
Rot. Bonds2

About 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine

3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117453066) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117453066
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cccc(Br)c1-c1cc(N)n(C)n1
InChIInChI=1S/C11H12BrN3O/c1-15-10(13)6-8(14-15)11-7(12)4-3-5-9(11)16-2/h3-6H,13H2,1-2H3
InChIKeyJIMPRBZPIFBIMO-UHFFFAOYSA-N
XLogP2.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
CID 117479831
3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine
CID 117365754
3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451526
3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine
CID 117431561
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451531

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117453066) is 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine is COc1cccc(Br)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is JIMPRBZPIFBIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-10(13)6-8(14-15)11-7(12)4-3-5-9(11)16-2/h3-6H,13H2,1-2H3.
What are the key properties of 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 282.14 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117453066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).