CAS 936940-41-9|1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine|1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanamine|1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine|1-(1-Ethyl-3,5-dimethyl-1H-pyr...

General Information

Structure

Molecular Formula

C₉H₁₇N₃

Molecular Mass

167.25138

Exact Mass

167.14224756

Charge

InChI

InChI=1S/C9H17N3/c1-5-12-8(4)9(6(2)10)7(3)11-12/h6H,5,10H2,1-4H3

InChIKey

QKZKNPUAVZUVON-UHFFFAOYSA-N

Canonic Smiles

CCn1nc(c(c1C)C(N)C)C

Isomeric Smiles

c1(c(nn(c1C)CC)C)C(N)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.3370836

LogD (pH = 7.4)

-1.2646755

Log P

0.6311888

Molar Refractivity

62.3434

Polarizability

19.468071

Polar Surface Area

43.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine

Synonyms

1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanamine1-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-ethylamine

IUPAC Traditional name

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

暂无数据

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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

Names and Identifiers

• IUPAC name

• Synonyms

• IUPAC Traditional name

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:18663