CAS 1007517-99-8|3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methylpropan-1-amine|[3-(3,5-dimethylpyrazol-1-yl)propyl](methyl)amine|[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl](methyl)amine|3-(3,5-Dimethyl-1H-py...

General Information

Structure

Molecular Formula

C₉H₁₇N₃

Molecular Mass

167.25138

Exact Mass

167.14224756

Charge

InChI

InChI=1S/C9H17N3/c1-8-7-9(2)12(11-8)6-4-5-10-3/h7,10H,4-6H2,1-3H3

InChIKey

YXVLUSBODIHODU-UHFFFAOYSA-N

Canonic Smiles

CNCCCn1nc(cc1C)C

Isomeric Smiles

n1n(c(cc1C)C)CCCNC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.8074858

LogD (pH = 7.4)

-2.3610053

Log P

0.42759368

Molar Refractivity

62.2924

Polarizability

19.472399

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 Traditional name

[3-(3,5-dimethylpyrazol-1-yl)propyl](methyl)amine

Synonyms

3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methylpropan-1-amine3-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-methylpropan-1-amine[3-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-methyl-amine

IUPAC name

[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl](methyl)amine

Names and Identifiers

Registration numbers

MDL Number

PubChem SID

PubChem CID

CAS Number

Registration numbers

Properties

Safety Information

MSDS Link

Download link

TSCA Listed

false

Storage Warning

IRRITANT

Product Information

C9H17N3

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

CBR00481

Other Notes
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Legal Information
Product of ChemBridge Corp.

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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