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

C13H16BrN3O — CID 117494973

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol
SMILESCC(C)c1cc(Br)c(O)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C13H16BrN3O/c1-7(2)8-4-9(12(18)11(14)5-8)10-6-16-17(3)13(10)15/h4-7,18H,15H2,1-3H3
InChIKeyQGPQNJJVLRSXRP-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.26
Rot. Bonds2

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

2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol (PubChem CID 117494973) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol
PubChem CID117494973
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol
SMILESCC(C)c1cc(Br)c(O)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C13H16BrN3O/c1-7(2)8-4-9(12(18)11(14)5-8)10-6-16-17(3)13(10)15/h4-7,18H,15H2,1-3H3
InChIKeyQGPQNJJVLRSXRP-UHFFFAOYSA-N
XLogP3.26
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol 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)-6-bromo-4-ethylphenol
CID 117477176
4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117397196
3-(5-amino-1-methylpyrazol-4-yl)-5-bromobenzene-1,2-diol
CID 117456733
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
6-(5-amino-1-methylpyrazol-4-yl)-2-bromo-3-methylphenol
CID 117453166
2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol
CID 117350179
2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol
CID 117436539
2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol (CID 117494973) is 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol is CC(C)c1cc(Br)c(O)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol?
The InChIKey is QGPQNJJVLRSXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-7(2)8-4-9(12(18)11(14)5-8)10-6-16-17(3)13(10)15/h4-7,18H,15H2,1-3H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol?
2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol has a molecular weight of 310.20 g/mol, XLogP of 3.26, 2 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)-6-bromo-4-propan-2-ylphenol is sourced from PubChem (CID 117494973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).