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

• ChemBase ID: 120810
• Molecular Formular: C4H8ClN3
• Molecular Mass: 133.57942
• Monoisotopic Mass: 133.04067495
• SMILES: n1[nH]c(cc1C)N.Cl
• Canonical SMILES: Cc1n[nH]c(c1)N.Cl
• InChI: InChI=1S/C4H7N3.ClH/c1-3-2-4(5)7-6-3;/h2H,1H3,(H3,5,6,7);1H
• InChIKey: WBRONLDVOFJRAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1H-pyrazol-5-amine hydrochloride
• IUPAC Traditional name: 5-methyl-2H-pyrazol-3-amine hydrochloride
• Synonyms: 3-methyl-1H-pyrazol-5-amine hydrochloride

Database IDs

• PubChem SID: 162215163
• PubChem CID: 16495337

CALCULATED PROPERTIES

• Acid pKa: 14.775016
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.3716148
• LogD (pH = 7.4): -0.33137295
• Log P: -0.33083495
• Molar Refractivity: 28.2906 cm^3
• Polarizability: 10.041172 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl