2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride

• ChemBase ID: 272056
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: C1(c2cn(nc2)C)CC1N.Cl.Cl
• Canonical SMILES: NC1CC1c1cnn(c1)C.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-10-4-5(3-9-10)6-2-7(6)8;;/h3-4,6-7H,2,8H2,1H3;2*1H
• InChIKey: FWXDAUIZBWDPLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(1-methylpyrazol-4-yl)cyclopropan-1-amine dihydrochloride
• Synonyms: 2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD20501900
• PubChem SID: 164327966
• PubChem CID: 54592656

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2208593
• LogD (pH = 7.4): -2.278606
• Log P: -0.23325747
• Molar Refractivity: 50.6 cm^3
• Polarizability: 15.137676 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.637

Product Information

• Purity: 95%