2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol

C12H14BrN3O — CID 117477193

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
SMILESCc1cc(Br)c(C)c(O)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14BrN3O/c1-6-4-9(13)7(2)11(17)10(6)8-5-15-16(3)12(8)14/h4-5,17H,14H2,1-3H3
InChIKeyWGYUCXKXELDAKF-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.75
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol

2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol (PubChem CID 117477193) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
PubChem CID117477193
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
SMILESCc1cc(Br)c(C)c(O)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14BrN3O/c1-6-4-9(13)7(2)11(17)10(6)8-5-15-16(3)12(8)14/h4-5,17H,14H2,1-3H3
InChIKeyWGYUCXKXELDAKF-UHFFFAOYSA-N
XLogP2.75
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
CID 115112480
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
CID 117453163
6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol
CID 117496885
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117479935
6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol
CID 117453166
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol
CID 117338197
2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol
CID 117477176
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
3-(5-amino-1-methylpyrazol-4-yl)-5-bromobenzene-1,2-diol
CID 117456733
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
CID 136931070

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol (CID 117477193) is 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol is Cc1cc(Br)c(C)c(O)c1-c1cnn(C)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol?
The InChIKey is WGYUCXKXELDAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-6-4-9(13)7(2)11(17)10(6)8-5-15-16(3)12(8)14/h4-5,17H,14H2,1-3H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol?
2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol has a molecular weight of 296.17 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol is sourced from PubChem (CID 117477193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).