[2-amino-1-(1-methyl-1H-pyrazol-4-yl)ethyl]dimethylamine

• ChemBase ID: 276625
• Molecular Formular: C8H16N4
• Molecular Mass: 168.23944
• Monoisotopic Mass: 168.13749653
• SMILES: c1(cn(nc1)C)C(N(C)C)CN
• Canonical SMILES: NCC(c1cnn(c1)C)N(C)C
• InChI: InChI=1S/C8H16N4/c1-11(2)8(4-9)7-5-10-12(3)6-7/h5-6,8H,4,9H2,1-3H3
• InChIKey: IORQNLKFRABVIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(1-methyl-1H-pyrazol-4-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(1-methylpyrazol-4-yl)ethyl]dimethylamine
• Synonyms: [2-amino-1-(1-methyl-1H-pyrazol-4-yl)ethyl]dimethylamine

Database IDs

• MDL Number: MFCD11108397
• PubChem SID: 164332535
• PubChem CID: 43199881

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8070812
• LogD (pH = 7.4): -1.8867396
• Log P: -0.3947141
• Molar Refractivity: 61.1241 cm^3
• Polarizability: 19.311026 Å^3
• Polar Surface Area: 47.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.572

Product Information

• Purity: 95%