1-Boc-3,5-dimethylpyrazole-4-boronic acid pinacol ester

• Catalog Number: ACM1073354707
• Product Name: 1-Boc-3,5-dimethylpyrazole-4-boronic acid pinacol ester
• CAS: 1073354-70-7
• Category: Boronic Esters
• IUPAC Name: tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
• Molecular Weight: 322.2g/mol
• Molecular Formula: C16H27BN2O4
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2C)C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C16H27BN2O4/c1-10-12(17-22-15(6,7)16(8,9)23-17)11(2)19(18-10)13(20)21-14(3,4)5/h1-9H3
• InChI Key: GNLNGVZPEKSDAR-UHFFFAOYSA-N
• Complexity: 459
• Covalently-Bonded Unit Count: 1
• Exact Mass: 322.206388g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 23
• Monoisotopic Mass: 322.206388g/mol
• Rotatable Bond Count: 3