1,3-dimethyl-1H-pyrazol-4-amine hydrochloride

• ChemBase ID: 28388
• Molecular Formular: C5H10ClN3
• Molecular Mass: 147.606
• Monoisotopic Mass: 147.05632502
• SMILES: n1c(c(cn1C)N)C.Cl
• Canonical SMILES: Cn1cc(c(n1)C)N.Cl
• InChI: InChI=1S/C5H9N3.ClH/c1-4-5(6)3-8(2)7-4;/h3H,6H2,1-2H3;1H
• InChIKey: ZDOGXPGAEYKUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
• IUPAC Traditional name: 1,3-dimethylpyrazol-4-amine hydrochloride
• Synonyms: 1,3-Dimethyl-1H-pyrazol-4-amine hydrochloride; 4-Amino-1,3-dimethyl-1H-pyrazole hydrochloride; 1,3-Dimethyl-1H-pyrazol-4-amine hydrochloride

Database IDs

• CAS Number: 1147222-02-3
• MDL Number: MFCD02253769
• PubChem SID: 160991695
• PubChem CID: 12687197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.29691106
• LogD (pH = 7.4): -0.2964557
• Log P: -0.2964499
• Molar Refractivity: 44.2533 cm^3
• Polarizability: 11.799934 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Salt Data: HCl