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

C11H12BrN3O — CID 117453130

IUPAC3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)c(-c2cn[nH]c2N)c(C)c1O
InChIInChI=1S/C11H12BrN3O/c1-5-3-8(12)9(6(2)10(5)16)7-4-14-15-11(7)13/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyFUVVOLHARUCMMZ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.74
Rot. Bonds1

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

3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol (PubChem CID 117453130) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
PubChem CID117453130
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)c(-c2cn[nH]c2N)c(C)c1O
InChIInChI=1S/C11H12BrN3O/c1-5-3-8(12)9(6(2)10(5)16)7-4-14-15-11(7)13/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyFUVVOLHARUCMMZ-UHFFFAOYSA-N
XLogP2.74
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
CID 115112091
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5,6-trimethylphenol
CID 115112089
2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
CID 117348179
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol
CID 117291742
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
CID 117454901
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
CID 117428214
4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine
CID 117317358

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol?
The IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol (CID 117453130) is 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol.
What is the SMILES notation for 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol?
The canonical SMILES for 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol is Cc1cc(Br)c(-c2cn[nH]c2N)c(C)c1O.
What is the InChIKey of 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol?
The InChIKey is FUVVOLHARUCMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-5-3-8(12)9(6(2)10(5)16)7-4-14-15-11(7)13/h3-4,16H,1-2H3,(H3,13,14,15).
What are the key properties of 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol?
3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol has a molecular weight of 282.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol is sourced from PubChem (CID 117453130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).