dimethyl[2-(1H-pyrazol-1-yl)ethyl]amine

• ChemBase ID: 292439
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: CN(C)CCn1cccn1
• Canonical SMILES: CN(CCn1cccn1)C
• InChI: InChI=1S/C7H13N3/c1-9(2)6-7-10-5-3-4-8-10/h3-5H,6-7H2,1-2H3
• InChIKey: GMVLAELEGIMFHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(1H-pyrazol-1-yl)ethyl]amine
• IUPAC Traditional name: dimethyl[2-(pyrazol-1-yl)ethyl]amine
• Synonyms: N,N-Dimethyl-2-(1H-pyrazol-1-yl)ethanamine

Database IDs

• CAS Number: 1071658-18-8
• PubChem SID: 180677970
• PubChem CID: 52141940

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.6124978
• LogD (pH = 7.4): -0.91000336
• Log P: 0.4197504
• Molar Refractivity: 52.9805 cm^3
• Polarizability: 15.946541 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%