CAS 105675-85-2|4-bromo-2-methylpyrazol-3-amine|4-bromo-1-methyl-1H-pyrazol-5-amine|3-Amino-4-bromo-2-methylpyrazole|4-bromo-1-methyl-1H-pyrazol-5-amine|5-Amino-4-bromo-1-methyl-1H-pyrazole|4-Bromo-...

General Information

Structure

Molecular Formula

C₄H₆BrN₃

Molecular Mass

176.01454

Exact Mass

174.97450921

Charge

InChI

InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3

InChIKey

ODFDZOQJRPDQDF-UHFFFAOYSA-N

Canonic Smiles

Cn1ncc(c1N)Br

Isomeric Smiles

c1(c(n(nc1)C)N)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.4295036

LogD (pH = 7.4)

0.4302145

Log P

0.43022355

Molar Refractivity

46.5379

Polarizability

13.052868

Polar Surface Area

43.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-bromo-2-methylpyrazol-3-amine

IUPAC name

4-bromo-1-methyl-1H-pyrazol-5-amine

Synonyms

3-Amino-4-bromo-2-methylpyrazole4-bromo-1-methyl-1H-pyrazol-5-amine5-Amino-4-bromo-1-methyl-1H-pyrazole4-Bromo-1-methyl-1H-pyrazol-5-amine4-Bromo-2-methyl-2H-pyrazol-3-amine5-氨基-4-溴-1-甲基-1H-吡唑4-Bromo-2-methyl-1H-pyrazol-3-amine5-Amino-4-bromo-1-methyl-1H-pyrazole

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

Beilstein Number