diphenyl-1H-pyrazole-4,5-diamine

• ChemBase ID: 244644
• Molecular Formular: C15H14N4
• Molecular Mass: 250.29846
• Monoisotopic Mass: 250.12184647
• SMILES: c1(c(c(nn1c1ccccc1)c1ccccc1)N)N
• Canonical SMILES: Nc1c(N)c(nn1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H14N4/c16-13-14(11-7-3-1-4-8-11)18-19(15(13)17)12-9-5-2-6-10-12/h1-10H,16-17H2
• InChIKey: WVNRYHPYXYRWOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl-1H-pyrazole-4,5-diamine
• IUPAC Traditional name: diphenylpyrazole-3,4-diamine
• Synonyms: diphenyl-1H-pyrazole-4,5-diamine

Database IDs

• MDL Number: MFCD12547013
• PubChem SID: 164300554
• PubChem CID: 9859783

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4878504
• LogD (pH = 7.4): 2.5231104
• Log P: 2.5235791
• Molar Refractivity: 77.838 cm^3
• Polarizability: 30.724545 Å^3
• Polar Surface Area: 69.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 2.776

Product Information

• Purity: 95%