[3-(3,4-diphenyl-1H-pyrazol-1-yl)propyl]dimethylamine

• ChemBase ID: 127417
• Molecular Formular: C20H23N3
• Molecular Mass: 305.41672
• Monoisotopic Mass: 305.18919775
• SMILES: n1c(c(cn1CCCN(C)C)c1ccccc1)c1ccccc1
• Canonical SMILES: CN(CCCn1cc(c(n1)c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C20H23N3/c1-22(2)14-9-15-23-16-19(17-10-5-3-6-11-17)20(21-23)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3
• InChIKey: NELSQLPTEWCHQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(3,4-diphenyl-1H-pyrazol-1-yl)propyl]dimethylamine
• IUPAC Traditional name: fezolamine
• Synonyms: Fezolamine

Database IDs

• CAS Number: 80410-36-2
• PubChem SID: 162221738
• PubChem CID: 54567
• Chemspider ID: 49284
• Unique Ingredient Identifier: 1133E05F6C
• Wikipedia Title: Fezolamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7446122
• LogD (pH = 7.4): 1.9214009
• Log P: 4.1600113
• Molar Refractivity: 107.7463 cm^3
• Polarizability: 39.93019 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled