CAS 3398-16-1|4-bromo-3,5-dimethyl-1H-pyrazole|4-Bromo-3,5-dimethyl-1H-pyrazole|4-bromo-3,5-dimethyl-2H-pyrazole|4-Bromo-3,5-dimethyl-1H-pyrazole|4-溴-3,5-二甲基-1H-吡唑|4-溴-3,5-二甲基吡唑|4-Bromo-...

General Information

Structure

Molecular Formula

C₅H₇BrN₂

Molecular Mass

175.02648

Exact Mass

173.97926023

Charge

InChI

InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)

InChIKey

RISOHYOEPYWKOB-UHFFFAOYSA-N

Canonic Smiles

Cc1[nH]nc(c1Br)C

Isomeric Smiles

n1[nH]c(c(c1C)Br)C

Calculated Properties

JChem

Acid pKa

14.367038

H Acceptors

H Donor

LogD (pH = 5.5)

1.3759516

LogD (pH = 7.4)

1.3770993

Log P

1.3771139

Molar Refractivity

37.1094

Polarizability

13.593916

Polar Surface Area

28.68

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-bromo-3,5-dimethyl-1H-pyrazole

IUPAC Traditional name

4-bromo-3,5-dimethyl-2H-pyrazole 4-bromo-3,5-dimethyl-1H-pyrazole

Synonyms

4-Bromo-3,5-dimethyl-1H-pyrazole4-溴-3,5-二甲基-1H-吡唑4-Bromo-3,5-dimethyl-1H-pyrazole4-溴-3,5-二甲基吡唑4-Bromo-3,5-dimethylpyrazole4-Bromo-3,5-dimethylpyrazole

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number

EC Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

B64407

Packaging
1, 10 g in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

4-bromo-3,5-dimethyl-1H-pyrazole

IUPAC Traditional name

4-bromo-3,5-dimethyl-2H-pyrazole 4-bromo-3,5-dimethyl-1H-pyrazole

Synonyms

4-Bromo-3,5-dimethyl-1H-pyrazole4-溴-3,5-二甲基-1H-吡唑4-Bromo-3,5-dimethyl-1H-pyrazole4-溴-3,5-二甲基吡唑4-Bromo-3,5-dimethylpyrazole4-Bromo-3,5-dimethylpyrazole

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number

EC Number