methyl[2-(trimethyl-1H-pyrazol-4-yl)ethyl]amine|N-Methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-ethyl]amine|methyl[2-(trimethylpyrazol-4-yl)ethyl]amine|N-methyl-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)et...

General Information

Structure

Molecular Formula

C₉H₁₇N₃

Molecular Mass

167.25138

Exact Mass

167.14224756

Charge

InChI

InChI=1S/C9H17N3/c1-7-9(5-6-10-3)8(2)12(4)11-7/h10H,5-6H2,1-4H3

InChIKey

UWAUQJYALKHJGH-UHFFFAOYSA-N

Canonic Smiles

CNCCc1c(C)nn(c1C)C

Isomeric Smiles

n1n(c(c(c1C)CCNC)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.6371005

LogD (pH = 7.4)

-1.8797837

Log P

0.5790474

Molar Refractivity

62.7056

Polarizability

19.392672

Polar Surface Area

29.85

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

methyl[2-(trimethyl-1H-pyrazol-4-yl)ethyl]amine

Synonyms

N-Methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-ethyl]amineN-methyl-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanamine

IUPAC Traditional name

methyl[2-(trimethylpyrazol-4-yl)ethyl]amine

Names and Identifiers

Registration numbers

PubChem SID

160998702

PubChem CID

16394826

MDL Number

MFCD06804126

Registration numbers

Properties

Safety Information

MSDS Link

Download link

TSCA Listed

false

Storage Warning

IRRITANT

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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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

Names and Identifiers

• IUPAC name

• Synonyms

• IUPAC Traditional name

Registration numbers

• PubChem SID

• PubChem CID

• MDL Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:35395