4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol

C11H12BrN3O — CID 117453163

IUPAC4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
SMILESCc1cc(-c2cnn(C)c2N)cc(Br)c1O
InChIInChI=1S/C11H12BrN3O/c1-6-3-7(4-9(12)10(6)16)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3
InChIKeyNHWOMWBEHSXPMQ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.45
Rot. Bonds1

About 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol

4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol (PubChem CID 117453163) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
PubChem CID117453163
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
SMILESCc1cc(-c2cnn(C)c2N)cc(Br)c1O
InChIInChI=1S/C11H12BrN3O/c1-6-3-7(4-9(12)10(6)16)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3
InChIKeyNHWOMWBEHSXPMQ-UHFFFAOYSA-N
XLogP2.45
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
CID 117471765
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol
CID 117453166
2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol
CID 117477176
2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol
CID 117494973
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
6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol
CID 117496885

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol (CID 117453163) is 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol is Cc1cc(-c2cnn(C)c2N)cc(Br)c1O.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol?
The InChIKey is NHWOMWBEHSXPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-6-3-7(4-9(12)10(6)16)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol?
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol has a molecular weight of 282.14 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol is sourced from PubChem (CID 117453163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).