4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine

C12H14BrN3O — CID 117477177

IUPAC4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(Br)c(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14BrN3O/c1-7-9(13)4-5-10(17-3)11(7)8-6-15-16(2)12(8)14/h4-6H,14H2,1-3H3
InChIKeyVQGZGFQXGWVDCM-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.75
Rot. Bonds2

About 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine

4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117477177) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117477177
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(Br)c(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14BrN3O/c1-7-9(13)4-5-10(17-3)11(7)8-6-15-16(2)12(8)14/h4-6H,14H2,1-3H3
InChIKeyVQGZGFQXGWVDCM-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

4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(2,3-dimethoxy-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117440661
4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol
CID 117338197
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol
CID 117496885
2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
CID 115112480
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117482175
4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117421303

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine (CID 117477177) is 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine is COc1ccc(Br)c(C)c1-c1cnn(C)c1N.
What is the InChIKey of 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is VQGZGFQXGWVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-7-9(13)4-5-10(17-3)11(7)8-6-15-16(2)12(8)14/h4-6H,14H2,1-3H3.
What are the key properties of 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
4-(3-bromo-6-methoxy-2-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 4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117477177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).