1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-amine

• ChemBase ID: 266137
• Molecular Formular: C7H14N4
• Molecular Mass: 154.21286
• Monoisotopic Mass: 154.12184647
• SMILES: n1n(ccc1N)CCN(C)C
• Canonical SMILES: CN(CCn1ccc(n1)N)C
• InChI: InChI=1S/C7H14N4/c1-10(2)5-6-11-4-3-7(8)9-11/h3-4H,5-6H2,1-2H3,(H2,8,9)
• InChIKey: QKZGPGWTHXRTLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-amine
• IUPAC Traditional name: 1-[2-(dimethylamino)ethyl]pyrazol-3-amine
• Synonyms: 1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-amine

Database IDs

• MDL Number: MFCD12149376
• PubChem SID: 164322047
• PubChem CID: 47002600

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.1358937
• Log P: 0.18528198
• Molar Refractivity: 57.9944 cm^3
• Polarizability: 17.07584 Å^3
• Polar Surface Area: 47.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.844284

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.27

Product Information

• Purity: 95%