2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine

C15H20BrN3 — CID 84604966

IUPAC2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine
SMILESCc1cc(C)c(-c2c(Br)c(CCN)nn2C)c(C)c1
InChIInChI=1S/C15H20BrN3/c1-9-7-10(2)13(11(3)8-9)15-14(16)12(5-6-17)18-19(15)4/h7-8H,5-6,17H2,1-4H3
InChIKeyCCQUFOUFISNLER-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.28
Rot. Bonds3

About 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine

2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine (PubChem CID 84604966) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine
PubChem CID84604966
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine
SMILESCc1cc(C)c(-c2c(Br)c(CCN)nn2C)c(C)c1
InChIInChI=1S/C15H20BrN3/c1-9-7-10(2)13(11(3)8-9)15-14(16)12(5-6-17)18-19(15)4/h7-8H,5-6,17H2,1-4H3
InChIKeyCCQUFOUFISNLER-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 84605977
2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 84609485
2-[4-bromo-5-(3-chloro-4-fluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 84609484
2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690
2-[4-bromo-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanamine
CID 84611451
2-[2-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478691
2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine
CID 84604920
2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84606530
2-[2-methyl-4-(2,4,6-trimethylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82130395
[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
CID 84610147
2-[2-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 82483725
2-(5-bromo-1-methylpyrazol-3-yl)ethanamine
CID 83852151

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine (CID 84604966) is 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine is Cc1cc(C)c(-c2c(Br)c(CCN)nn2C)c(C)c1.
What is the InChIKey of 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine?
The InChIKey is CCQUFOUFISNLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-9-7-10(2)13(11(3)8-9)15-14(16)12(5-6-17)18-19(15)4/h7-8H,5-6,17H2,1-4H3.
What are the key properties of 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine?
2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 84604966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).