CAS 82560-12-1|3-tert-butyl-1H-pyrazol-5-amine|5-tert-Butyl-2H-pyrazol-3-ylamine|5-tert-butyl-2H-pyrazol-3-amine|3-(tert-butyl)-1H-pyrazol-5-amine|3-tert-butyl-1H-pyrazol-5-amine|5-tert-butyl-1H-pyr...

General Information

Structure

Molecular Formula

C₇H₁₃N₃

Molecular Mass

139.19822

Exact Mass

139.11094743

Charge

InChI

InChI=1S/C7H13N3/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10)

InChIKey

ZHBXGHWSVIBUCQ-UHFFFAOYSA-N

Canonic Smiles

CC(c1cc([nH]n1)N)(C)C

Isomeric Smiles

c1c(n[nH]c1N)C(C)(C)C

Calculated Properties

JChem

Acid pKa

14.588564

H Acceptors

H Donor

LogD (pH = 5.5)

1.4485477

LogD (pH = 7.4)

1.4684418

Log P

1.4687015

Molar Refractivity

41.993

Polarizability

15.553561

Polar Surface Area

54.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3-tert-butyl-1H-pyrazol-5-amine 5-tert-butyl-1H-pyrazol-3-amine

Synonyms

5-tert-Butyl-2H-pyrazol-3-ylamine3-(tert-butyl)-1H-pyrazol-5-amine3-tert-butyl-1H-pyrazol-5-amine3-Amino-5-tert-butylpyrazole5-tert-Butyl-1H-pyrazol-3-amine3-Amino-5-tert-butyl-1H-pyrazole3-氨基-5-叔丁基-1H-吡唑3-(tert-Butyl)-1H-pyrazol-5-amine3-Amino-5-tert-butyl-1H-pyrazole5-Amino-3-(tert-butyl)-1H-pyrazole 98%3-Amino-5-tert-butylpyrazole5-Amino-3-tert-butyl-1H-pyrazole

IUPAC Traditional name

5-tert-butyl-2H-pyrazol-3-amine 5-tert-butyl-1H-pyrazol-3-amine

Names and Identifiers

Registration numbers

CAS Number

82560-12-1

MDL Number

MFCD00067987MFCD00082631

PubChem SID

162028298

PubChem CID

522787