2-(3,5-dimethyl-1H-pyrazol-1-yl)quinolin-8-amine

• ChemBase ID: 310360
• Molecular Formular: C14H14N4
• Molecular Mass: 238.28776
• Monoisotopic Mass: 238.12184647
• SMILES: n1(nc(cc1C)C)c1nc2c(N)cccc2cc1
• Canonical SMILES: Cc1nn(c(c1)C)c1ccc2c(n1)c(N)ccc2
• InChI: InChI=1S/C14H14N4/c1-9-8-10(2)18(17-9)13-7-6-11-4-3-5-12(15)14(11)16-13/h3-8H,15H2,1-2H3
• InChIKey: DDBIKFYWRHCKQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethyl-1H-pyrazol-1-yl)quinolin-8-amine
• IUPAC Traditional name: 2-(3,5-dimethylpyrazol-1-yl)quinolin-8-amine
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)quinolin-8-amine

Database IDs

• CAS Number: 356522-39-9
• MDL Number: MFCD01246359

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3120358
• LogD (pH = 7.4): 2.3131676
• Log P: 2.313182
• Molar Refractivity: 73.0961 cm^3
• Polarizability: 28.040205 Å^3
• Polar Surface Area: 56.73 Å^2