CAS 3314-35-0|1-phenyl-4,5-dihydropyrazol-3-amine|1-Phenyl-4,5-dihydro-1H-pyrazol-3-ylamine|1-phenyl-4,5-dihydro-1H-pyrazol-3-amine|1-phenyl-4,5-dihydro-1H-pyrazol-3-amine|4,5-Dihydro-1-phenyl-1H-py...

General Information

Structure

Molecular Formula

C₉H₁₁N₃

Molecular Mass

161.20374

Exact Mass

161.09529737

Charge

InChI

InChI=1S/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)

InChIKey

QENUTIJJGGTTPE-UHFFFAOYSA-N

Canonic Smiles

NC1=NN(CC1)c1ccccc1

Isomeric Smiles

C1C(=NN(C1)c1ccccc1)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.1777884

LogD (pH = 7.4)

0.057771683

Log P

1.1270008

Molar Refractivity

58.2713

Polarizability

18.116917

Polar Surface Area

41.62

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-phenyl-4,5-dihydro-1H-pyrazol-3-amine

IUPAC Traditional name

1-phenyl-4,5-dihydropyrazol-3-amine

Synonyms

1-Phenyl-4,5-dihydro-1H-pyrazol-3-ylamine1-phenyl-4,5-dihydro-1H-pyrazol-3-amine3-氨基-4,5-二氢-1H-1-苯基吡唑3-氨基-4,5-二氢-1-苯基吡唑4,5-Dihydro-1-phenyl-1H-pyrazol-3-amine3-Amino-1-phenyl-2-pyrazoline3-Amino-4,5-dihydro-1-phenyl-1H-pyrazole3-Amino-4,5-dihydro-1H-1-phenylpyrazole

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

EC Number