CAS 957514-22-6|2-(1-cyclopropylethyl)-4-methylpyrazol-3-amine|1-(1-cyclopropylethyl)-4-methyl-1H-pyrazol-5-amine|1-(1-cyclopropylethyl)-4-methyl-1H-pyrazol-5-amine|2-(1-Cyclopropyl-ethyl)-4-methyl-...

General Information

Structure

Molecular Formula

C₉H₁₅N₃

Molecular Mass

165.2355

Exact Mass

165.1265975

Charge

InChI

InChI=1S/C9H15N3/c1-6-5-11-12(9(6)10)7(2)8-3-4-8/h5,7-8H,3-4,10H2,1-2H3

InChIKey

ZGZUIGVCZUSCRV-UHFFFAOYSA-N

Canonic Smiles

CC(n1ncc(c1N)C)C1CC1

Isomeric Smiles

n1(C(C2CC2)C)c(c(cn1)C)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3677689

LogD (pH = 7.4)

1.3719906

Log P

1.3720446

Molar Refractivity

60.3171

Polarizability

18.43076

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-cyclopropylethyl)-4-methyl-1H-pyrazol-5-amine

Synonyms

1-(1-cyclopropylethyl)-4-methyl-1H-pyrazol-5-amine2-(1-Cyclopropyl-ethyl)-4-methyl-2H-pyrazol-3-ylamine

IUPAC Traditional name

2-(1-cyclopropylethyl)-4-methylpyrazol-3-amine

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

TSCA Listed

false

Properties

Related Proteins

No Data Available

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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

Names and Identifiers

• IUPAC name

• Synonyms

• IUPAC Traditional name

Registration numbers

• PubChem CID

• PubChem SID

• MDL Number

• CAS Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:17388