3,5-diphenyl-4,5-dihydro-1H-pyrazole

• ChemBase ID: 231724
• Molecular Formular: C15H14N2
• Molecular Mass: 222.28506
• Monoisotopic Mass: 222.11569846
• SMILES: N1=C(CC(N1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1NN=C(C1)c1ccccc1
• InChI: InChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,14,16H,11H2
• InChIKey: VJFQJTFADLQQNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diphenyl-4,5-dihydro-1H-pyrazole
• IUPAC Traditional name: 3,5-diphenyl-4,5-dihydro-1H-pyrazole
• Synonyms: 3,5-Diphenyl-4,5-dihydro-1H-pyrazole

Database IDs

• CAS Number: 16619-60-6
• MDL Number: MFCD01047294
• PubChem SID: 164287634
• PubChem CID: 3683844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1828718
• LogD (pH = 7.4): 3.193204
• Log P: 3.1933372
• Molar Refractivity: 79.7526 cm^3
• Polarizability: 26.916845 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.597

Product Information

• Purity: 95%