1-cyclohexyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

• ChemBase ID: 289534
• Molecular Formular: C15H25BN2O2
• Molecular Mass: 276.1822
• Monoisotopic Mass: 276.20090845
• SMILES: CC1(C)C(C)(C)OB(c2cn(C3CCCCC3)nc2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cnn(c1)C1CCCCC1
• InChI: InChI=1S/C15H25BN2O2/c1-14(2)15(3,4)20-16(19-14)12-10-17-18(11-12)13-8-6-5-7-9-13/h10-11,13H,5-9H2,1-4H3
• InChIKey: WCTWBVYTYXBCRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• IUPAC Traditional name: 1-cyclohexyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• Synonyms: 1-Cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Database IDs

• CAS Number: 1175275-00-9
• PubChem SID: 180675065
• PubChem CID: 57345810

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7593703
• LogD (pH = 7.4): 3.7593997
• Log P: 3.7594
• Molar Refractivity: 85.6307 cm^3
• Polarizability: 31.05447 Å^3
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%