CAS 31230-17-8|CAS 113402-89-4|3-methyl-1H-pyrazol-5-amine|3-Methyl-1H-pyrazol-5-amine dihydrochloride|5-methyl-2H-pyrazol-3-amine|3-Amino-5-methylpyrazole|5-methyl-1H-pyrazol-3-amine|5-methyl-1H-py...

General Information

Structure

Molecular Formula

C₄H₇N₃

Molecular Mass

97.11848

Exact Mass

97.06399724

Charge

InChI

InChI=1S/C4H7N3/c1-3-2-4(5)7-6-3/h2H,1H3,(H3,5,6,7)

InChIKey

FYTLHYRDGXRYEY-UHFFFAOYSA-N

Canonic Smiles

Cc1n[nH]c(c1)N

Isomeric Smiles

c1(cc(C)n[nH]1)N

Calculated Properties

JChem

Acid pKa

14.775016

H Acceptors

H Donor

LogD (pH = 5.5)

-0.3716148

LogD (pH = 7.4)

-0.33137295

Log P

-0.33083495

Molar Refractivity

28.2906

Polarizability

10.041172

Polar Surface Area

54.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Methyl-1H-pyrazol-5-amine dihydrochloride3-Amino-5-methylpyrazole5-Methyl-1H-pyrazol-3-amine3-Amino-5-methyl-1H-pyrazole5-Amino-3-methyl-1H-pyrazole3-methyl-1H-pyrazol-5-amine3-氨基-5-甲基吡唑3-Amino-5-methylpyrazole5-甲基-3-氨基吡唑5-Methyl-3-pyrazolamine3-Amino-5-methyl-1H-pyrazole3-Amino-5-methylpyrazole5-Amino-3-methylpyrazole5-Methylpyrazol-3-ylamine5-Methylpyrazol-3-amine5-Methyl-3-aminopyrazole3-Amino-5-methyl-1H-pyrazole3-氨基-5-甲基-1H-吡唑5-Methyl-1H-pyrazol-3-amine

IUPAC name

3-methyl-1H-pyrazol-5-amine 5-methyl-1H-pyrazol-3-amine

IUPAC Traditional name

5-methyl-2H-pyrazol-3-amine 5-methyl-1H-pyrazol-3-amine

Names and Identifiers

Registration numbers

PubChem CID

93146

MDL Number

MFCD00051640MFCD00075180MFCD17168390

PubChem SID

16100024524860783