methyl[1-(1-methyl-1H-pyrazol-4-yl)ethyl]amine

• ChemBase ID: 247519
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: c1(cn(nc1)C)C(NC)C
• Canonical SMILES: CNC(c1cnn(c1)C)C
• InChI: InChI=1S/C7H13N3/c1-6(8-2)7-4-9-10(3)5-7/h4-6,8H,1-3H3
• InChIKey: KFDNTYSILYMRBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08700773
• PubChem SID: 164303429
• PubChem CID: 23005793

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7251146
• LogD (pH = 7.4): -1.3756783
• Log P: 0.37602973
• Molar Refractivity: 52.6282 cm^3
• Polarizability: 15.942197 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.066

Product Information

• Purity: 95%