CAS 1017788-72-5|5-(Aminoethyl)-4-bromo-1-methyl-1H-pyrazole|2-(4-Bromo-1-methyl-1H-pyrazol-5-yl)ethylamine|2-(4-bromo-2-methylpyrazol-3-yl)ethanamine|2-(4-bromo-1-methyl-1H-pyrazol-5-yl)ethan-1-ami...

General Information

Structure

Molecular Formula

C₆H₁₀BrN₃

Molecular Mass

204.0677

Exact Mass

203.00580934

Charge

InChI

InChI=1S/C6H10BrN3/c1-10-6(2-3-8)5(7)4-9-10/h4H,2-3,8H2,1H3

InChIKey

YYLDZUQDENGWQN-UHFFFAOYSA-N

Canonic Smiles

Cn1ncc(c1CCN)Br

Isomeric Smiles

n1(c(c(cn1)Br)CCN)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.7296755

LogD (pH = 7.4)

-1.9619972

Log P

0.2755878

Molar Refractivity

55.8005

Polarizability

16.910221

Polar Surface Area

43.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

5-(Aminoethyl)-4-bromo-1-methyl-1H-pyrazole2-(4-Bromo-1-methyl-1H-pyrazol-5-yl)ethylamine

IUPAC Traditional name

2-(4-bromo-2-methylpyrazol-3-yl)ethanamine

IUPAC name

2-(4-bromo-1-methyl-1H-pyrazol-5-yl)ethan-1-amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Safety Information

Storage Warning

Irritant/Keep Cold

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Data Source

Names and Identifiers

• Synonyms

• IUPAC Traditional name

• IUPAC name

Registration numbers

• CAS Number

• MDL Number

• PubChem CID

• PubChem SID

• Safety Information

• PubChem Literature

• From Data Sources

References

Bioactivity

• PubChem BioAssay

Bioactivity

Molecule

ID:78152