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

• ChemBase ID: 278566
• Molecular Formular: C5H10ClN3
• Molecular Mass: 147.606
• Monoisotopic Mass: 147.05632502
• SMILES: n1n(cc(c1)NC)C.Cl
• Canonical SMILES: CNc1cnn(c1)C.Cl
• InChI: InChI=1S/C5H9N3.ClH/c1-6-5-3-7-8(2)4-5;/h3-4,6H,1-2H3;1H
• InChIKey: HZRJQVSBPMJLCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-1H-pyrazol-4-amine hydrochloride
• IUPAC Traditional name: N,1-dimethylpyrazol-4-amine hydrochloride
• Synonyms: N,1-dimethyl-1H-pyrazol-4-amine hydrochloride

Database IDs

• MDL Number: MFCD20233477
• PubChem SID: 164334476
• PubChem CID: 53626279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.12615564
• LogD (pH = 7.4): -0.1261165
• Log P: -0.126116
• Molar Refractivity: 45.1552 cm^3
• Polarizability: 11.877681 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.233

Product Information

• Purity: 95%