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

• ChemBase ID: 277845
• Molecular Formular: C5H10ClN3
• Molecular Mass: 147.606
• Monoisotopic Mass: 147.05632502
• SMILES: c1(n(ncc1)C)NC.Cl
• Canonical SMILES: CNc1ccnn1C.Cl
• InChI: InChI=1S/C5H9N3.ClH/c1-6-5-3-4-7-8(5)2;/h3-4,6H,1-2H3;1H
• InChIKey: HHEJJXFNMWNMQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982440
• PubChem SID: 164333755
• PubChem CID: 54594770

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.040666047
• LogD (pH = 7.4): -0.036873557
• Log P: -0.03682499
• Molar Refractivity: 44.4085 cm^3
• Polarizability: 11.875562 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 0.233

Product Information

• Purity: 95%