1-(triphenylmethyl)-1H-pyrazole

• ChemBase ID: 294071
• Molecular Formular: C22H18N2
• Molecular Mass: 310.39172
• Monoisotopic Mass: 310.14699859
• SMILES: n1(C(c2ccccc2)(c2ccccc2)c2ccccc2)nccc1
• Canonical SMILES: c1ccc(cc1)C(n1cccn1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H18N2/c1-4-11-19(12-5-1)22(24-18-10-17-23-24,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H
• InChIKey: DZMNGSPDNIVJMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(triphenylmethyl)-1H-pyrazole
• IUPAC Traditional name: 1-(triphenylmethyl)pyrazole
• Synonyms: 1-Trityl-1H-pyrazole

Database IDs

• CAS Number: 95163-43-2
• PubChem SID: 180679602
• PubChem CID: 9883177

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5579743
• LogD (pH = 7.4): 5.5580597
• Log P: 5.558061
• Molar Refractivity: 110.0116 cm^3
• Polarizability: 37.763557 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%