3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine

C11H12BrN3O — CID 61033459

IUPAC3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(C)n2)cc1Br
InChIInChI=1S/C11H12BrN3O/c1-15-11(13)6-9(14-15)7-3-4-10(16-2)8(12)5-7/h3-6H,13H2,1-2H3
InChIKeyDMLWJJHTQBUPAX-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.44
Rot. Bonds2

About 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine

3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 61033459) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID61033459
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(C)n2)cc1Br
InChIInChI=1S/C11H12BrN3O/c1-15-11(13)6-9(14-15)7-3-4-10(16-2)8(12)5-7/h3-6H,13H2,1-2H3
InChIKeyDMLWJJHTQBUPAX-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-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine
CID 117462074
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
CID 134456084
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
CID 84605771
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854245
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine (CID 61033459) is 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine is COc1ccc(-c2cc(N)n(C)n2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is DMLWJJHTQBUPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-11(13)6-9(14-15)7-3-4-10(16-2)8(12)5-7/h3-6H,13H2,1-2H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(3-bromo-4-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-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 61033459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).