1-[2-(dimethylamino)ethyl]-1H-pyrazol-4-amine

• ChemBase ID: 265995
• Molecular Formular: C7H14N4
• Molecular Mass: 154.21286
• Monoisotopic Mass: 154.12184647
• SMILES: n1n(cc(c1)N)CCN(C)C
• Canonical SMILES: CN(CCn1ncc(c1)N)C
• InChI: InChI=1S/C7H14N4/c1-10(2)3-4-11-6-7(8)5-9-11/h5-6H,3-4,8H2,1-2H3
• InChIKey: DDAAGLMJYOHBDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethylamino)ethyl]-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-[2-(dimethylamino)ethyl]pyrazol-4-amine
• Synonyms: 1-[2-(dimethylamino)ethyl]-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD11128204
• PubChem SID: 164321905
• PubChem CID: 28373957

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.522175
• LogD (pH = 7.4): -1.8618293
• Log P: -0.40917554
• Molar Refractivity: 57.6809 cm^3
• Polarizability: 17.0839 Å^3
• Polar Surface Area: 47.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.27

Product Information

• Purity: 95%