CAS 5334-43-0|5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile|5-amino-1-phenylpyrazole-4-carbonitrile|5-amino-1-phenyl-1H-pyrazole-4-carbonitrile|5-氨基-1-苯基吡唑-4-腈|5-Amino-1-phenylpyrazole-4-carbon...

General Information

Structure

Molecular Formula

C₁₀H₈N₄

Molecular Mass

184.19732

Exact Mass

184.07489628

Charge

InChI

InChI=1S/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2

InChIKey

MAKQREKUUHPPIS-UHFFFAOYSA-N

Canonic Smiles

N#Cc1cnn(c1N)c1ccccc1

Isomeric Smiles

n1cc(c(n1c1ccccc1)N)C#N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.1753792

LogD (pH = 7.4)

1.1755238

Log P

1.1755255

Molar Refractivity

54.095

Polarizability

20.376434

Polar Surface Area

67.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5-氨基-1-苯基吡唑-4-腈5-Amino-1-phenylpyrazole-4-carbonitrile5-氨基-1-苯基吡唑-4-甲腈5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5-Amino-1-phenylpyrazolo-4-carbonitrile5-Amino-4-cyano-1-phenyl-1H-pyrazole5-Amino-4-cyano-1-phenylpyrazole

IUPAC Traditional name

5-amino-1-phenylpyrazole-4-carbonitrile

IUPAC name

5-amino-1-phenyl-1H-pyrazole-4-carbonitrile

Names and Identifiers

Registration numbers

CAS Number

5334-43-0

MDL Number

MFCD00020730

EC Number

226-253-9