3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine

C12H14BrN3O — CID 117477136

IUPAC3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)ccc(Br)c1-c1cc(N)n(C)n1
InChIInChI=1S/C12H14BrN3O/c1-7-4-5-8(13)11(12(7)17-3)9-6-10(14)16(2)15-9/h4-6H,14H2,1-3H3
InChIKeyGSFNTYLUXCSUQD-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.75
Rot. Bonds2

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

3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117477136) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117477136
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)ccc(Br)c1-c1cc(N)n(C)n1
InChIInChI=1S/C12H14BrN3O/c1-7-4-5-8(13)11(12(7)17-3)9-6-10(14)16(2)15-9/h4-6H,14H2,1-3H3
InChIKeyGSFNTYLUXCSUQD-UHFFFAOYSA-N
XLogP2.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
CID 117479831
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117413350
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine
CID 117496199
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine (CID 117477136) is 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine is COc1c(C)ccc(Br)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GSFNTYLUXCSUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-7-4-5-8(13)11(12(7)17-3)9-6-10(14)16(2)15-9/h4-6H,14H2,1-3H3.
What are the key properties of 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine?
3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 296.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117477136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).