CAS 96799-03-0|3-(thiophen-2-yl)-1H-pyrazol-5-amine|5-(thiophen-2-yl)-2H-pyrazol-3-amine|5-Amino-3-(thien-2-yl)-1H-pyrazole|5-(thiophen-2-yl)-1H-pyrazol-3-amine|5-(thiophen-2-yl)-1H-pyrazol-3-amine|...

General Information

Structure

Molecular Formula

C₇H₇N₃S

Molecular Mass

165.21558

Exact Mass

165.03606824

Charge

InChI

InChI=1S/C7H7N3S/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10)

InChIKey

TXSOLYKLZBJHFF-UHFFFAOYSA-N

Canonic Smiles

Nc1[nH]nc(c1)c1cccs1

Isomeric Smiles

n1c(c2cccs2)cc([nH]1)N

Calculated Properties

JChem

Acid pKa

13.838615

H Acceptors

H Donor

LogD (pH = 5.5)

1.3469186

LogD (pH = 7.4)

1.3480046

Log P

1.3480186

Molar Refractivity

45.3532

Polarizability

17.882193

Polar Surface Area

54.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

IUPAC Traditional name

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

Synonyms

5-Amino-3-(thien-2-yl)-1H-pyrazole5-thien-2-yl-1H-pyrazol-3-amine5-Amino-3-(2-thienyl)pyrazole5-氨基-3-(2-噻吩基)吡唑5-(2-Thienyl)-1H-pyrazol-3-amine5-Amino-3-(2-thienyl)pyrazole5-(Thien-2-yl)-2H-pyrazol-3-ylamine5-Amino-3-(2-thienyl)-1H-pyrazole3-(thiophen-2-yl)-1H-pyrazol-5-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD07772875MFCD00051815

CAS Number

Beilstein Number

PubChem SID

PubChem CID