CAS 96799-02-9|5-(2-Furyl)-1H-pyrazol-3-amine|5-(furan-2-yl)-1H-pyrazol-3-amine|5-(furan-2-yl)-1H-pyrazol-3-amine|5-(furan-2-yl)-2H-pyrazol-3-amine|3-(furan-2-yl)-1H-pyrazol-5-amine|3-(Fur-2-yl)-1H-...

General Information

Structure

Molecular Formula

C₇H₇N₃O

Molecular Mass

149.14998

Exact Mass

149.05891186

Charge

InChI

InChI=1S/C7H7N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10)

InChIKey

XJNZHICOWTVWOX-UHFFFAOYSA-N

Canonic Smiles

Nc1n[nH]c(c1)c1ccco1

Isomeric Smiles

[nH]1c(cc(n1)N)c1ccco1

Calculated Properties

JChem

Acid pKa

13.487775

H Acceptors

H Donor

LogD (pH = 5.5)

0.6307731

LogD (pH = 7.4)

0.6311125

Log P

0.63111717

Molar Refractivity

40.8542

Polarizability

16.09392

Polar Surface Area

67.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

5-(2-Furyl)-1H-pyrazol-3-amine3-(Fur-2-yl)-1H-pyrazol-5-amine5-Amino-3-(fur-2-yl)-1H-pyrazole3-(2-furyl)-1H-pyrazol-5-amine3-(Furan-2-yl)-1H-pyrazol-5-amine5-(2-Furyl)-1H-pyrazol-3-amine3-氨基-5-(2-呋喃基)吡唑3-Amino-5-(2-furyl)-1H-pyrazole3-Amino-5-(2-furyl)pyrazole

IUPAC Traditional name

5-(furan-2-yl)-1H-pyrazol-3-amine 5-(furan-2-yl)-2H-pyrazol-3-amine

IUPAC name

5-(furan-2-yl)-1H-pyrazol-3-amine 3-(furan-2-yl)-1H-pyrazol-5-amine

Names and Identifiers

Registration numbers

CAS Number

96799-02-9

MDL Number

MFCD00052276MFCD00082696

PubChem CID

523183