CAS 72411-52-0|CAS 929635-71-2|5-(4-fluorophenyl)-2H-pyrazol-3-amine|3-(4-fluorophenyl)-1H-pyrazol-5-amine|5-Amino-3-(4-fluorophenyl)-1H-pyrazole|3-(4-Fluorophenyl)-1H-pyrazol-5-amine|5-Amino-3-(4-f...

General Information

Structure

Molecular Formula

C₉H₈FN₃

Molecular Mass

177.1783232

Exact Mass

177.07022549

Charge

InChI

InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)

InChIKey

QYEHDCXFXONDPV-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)c1n[nH]c(c1)N

Isomeric Smiles

c1c(n[nH]c1N)c1ccc(cc1)F

Calculated Properties

JChem

Acid pKa

14.320785

H Acceptors

H Donor

LogD (pH = 5.5)

1.7083662

LogD (pH = 7.4)

1.7135065

Log P

1.7135725

Molar Refractivity

48.6797

Polarizability

18.861496

Polar Surface Area

54.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

5-Amino-3-(4-fluorophenyl)-1H-pyrazole3-(4-Fluorophenyl)-1H-pyrazol-5-amine5-Amino-3-(4-fluorophenyl)pyrazole3-(4-Fluorophenyl)-1H-pyrazol-5-amine5-氨基-3-(4-氟苯基）吡唑5-Amino-3-(4-fluorophenyl)-1H-pyrazole5-氨基-3-(4-氟苯基)-1H-吡唑

IUPAC Traditional name

5-(4-fluorophenyl)-2H-pyrazol-3-amine

IUPAC name

3-(4-fluorophenyl)-1H-pyrazol-5-amine

Names and Identifiers

Registration numbers

CAS Number

72411-52-0929635-71-2

MDL Number

MFCD01023677MFCD10565813

PubChem CID

2759138