1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-amine

• ChemBase ID: 240981
• Molecular Formular: C19H19N3
• Molecular Mass: 289.37426
• Monoisotopic Mass: 289.15789762
• SMILES: n1n(c(cc1c1cc2c(cc1)CCCC2)N)c1ccccc1
• Canonical SMILES: Nc1cc(nn1c1ccccc1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C19H19N3/c20-19-13-18(21-22(19)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-13H,4-7,20H2
• InChIKey: ACFDSTIGSDIANU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-3-amine
• Synonyms: 1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD06363481
• PubChem SID: 164296891
• PubChem CID: 2554551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.8032565
• LogD (pH = 7.4): 4.8047404
• Log P: 4.8047595
• Molar Refractivity: 90.6198 cm^3
• Polarizability: 36.09621 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.082

Product Information

• Purity: 95%