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

C13H16BrN3O — CID 115112480

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
SMILESCc1c(C)c(Br)c(C)c(-c2cnn(C)c2N)c1O
InChIInChI=1S/C13H16BrN3O/c1-6-7(2)12(18)10(8(3)11(6)14)9-5-16-17(4)13(9)15/h5,18H,15H2,1-4H3
InChIKeyCBDAOFIOUHTCHT-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.06
Rot. Bonds1

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

2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol (PubChem CID 115112480) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
PubChem CID115112480
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
SMILESCc1c(C)c(Br)c(C)c(-c2cnn(C)c2N)c1O
InChIInChI=1S/C13H16BrN3O/c1-6-7(2)12(18)10(8(3)11(6)14)9-5-16-17(4)13(9)15/h5,18H,15H2,1-4H3
InChIKeyCBDAOFIOUHTCHT-UHFFFAOYSA-N
XLogP3.06
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol
CID 117453166
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117479935
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
2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol
CID 117436539
3-(5-amino-1-methylpyrazol-4-yl)-5-bromobenzene-1,2-diol
CID 117456733
4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117477177
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol (CID 115112480) is 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol is Cc1c(C)c(Br)c(C)c(-c2cnn(C)c2N)c1O.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol?
The InChIKey is CBDAOFIOUHTCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-6-7(2)12(18)10(8(3)11(6)14)9-5-16-17(4)13(9)15/h5,18H,15H2,1-4H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol?
2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol has a molecular weight of 310.19 g/mol, XLogP of 3.06, 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)-4-bromo-3,5,6-trimethylphenol is sourced from PubChem (CID 115112480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).