1,3-dimethyl-1H-pyrazol-5-amine hydrochloride

• ChemBase ID: 100976
• Molecular Formular: C5H10ClN3
• Molecular Mass: 147.606
• Monoisotopic Mass: 147.05632502
• SMILES: c1(n(nc(c1)C)C)N.Cl
• Canonical SMILES: Cc1nn(c(c1)N)C.Cl
• InChI: InChI=1S/C5H9N3.ClH/c1-4-3-5(6)8(2)7-4;/h3H,6H2,1-2H3;1H
• InChIKey: MOGGYYLZLBLICG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-1H-pyrazol-5-amine hydrochloride
• IUPAC Traditional name: 2,5-dimethylpyrazol-3-amine hydrochloride
• Synonyms: 1,3-dimethyl-1H-pyrazol-5-ylamine hydrochloride

Database IDs

• CAS Number: 103068-64-0
• MDL Number: MFCD00800496
• PubChem SID: 162087573
• PubChem CID: 2725049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2371466
• LogD (pH = 7.4): -0.20754959
• Log P: -0.20715891
• Molar Refractivity: 43.5066 cm^3
• Polarizability: 11.79755 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%