CAS 449758-13-8|1-[2-(1H-pyrazol-1-yl)phenyl]methanamine|[2-(1H-pyrazol-1-yl)phenyl]methanamine|[2-(pyrazol-1-yl)phenyl]methanamine|[2-(1H-Pyrazol-1-yl)phenyl]methylamine 97+%|2-(1H-Pyrazol-1-yl)ben...

General Information

Structure

Molecular Formula

C₁₀H₁₁N₃

Molecular Mass

173.21444

Exact Mass

173.09529737

Charge

InChI

InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2

InChIKey

SJMJUZRSTJBVPG-UHFFFAOYSA-N

Canonic Smiles

NCc1ccccc1n1cccn1

Isomeric Smiles

n1cccn1c1ccccc1CN

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8154701

LogD (pH = 7.4)

-0.99043334

Log P

1.1848328

Molar Refractivity

52.8931

Polarizability

20.807516

Polar Surface Area

43.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-[2-(1H-pyrazol-1-yl)phenyl]methanamine2-(1H-Pyrazol-1-yl)benzylamine1-(Aminomethyl)-2-(1H-pyrazol-1-yl)benzene[2-(1H-Pyrazol-1-yl)phenyl]methylamine 97+%1-[2-(Aminomethyl)phenyl]-1H-pyrazole2-(1H-pyrazol-1-yl)benzylamine[2-(1H-pyrazol-1-yl)phenyl]methanamine

IUPAC name

[2-(1H-pyrazol-1-yl)phenyl]methanamine

IUPAC Traditional name

[2-(pyrazol-1-yl)phenyl]methanamine

Names and Identifiers

Registration numbers

CAS Number

449758-13-8

MDL Number

MFCD03086189

PubChem SID

162077883