5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C16H23BN2O2 — CID 71240651

IUPAC5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILESCC(C)c1ccc2[nH]ncc2c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H23BN2O2/c1-10(2)11-7-8-13-12(9-18-19-13)14(11)17-20-15(3,4)16(5,6)21-17/h7-10H,1-6H3,(H,18,19)
InChIKeyOZRISQNUHBSIMT-UHFFFAOYSA-N
MW286.18 g/mol
LogP2.99
Rot. Bonds2

About 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (PubChem CID 71240651) has the molecular formula C16H23BN2O2 and a molecular weight of 286.18 g/mol. Its IUPAC name is 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
PubChem CID71240651
Molecular FormulaC16H23BN2O2
Molecular Weight286.18 g/mol
Exact Mass286.19
IUPAC Name5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILESCC(C)c1ccc2[nH]ncc2c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H23BN2O2/c1-10(2)11-7-8-13-12(9-18-19-13)14(11)17-20-15(3,4)16(5,6)21-17/h7-10H,1-6H3,(H,18,19)
InChIKeyOZRISQNUHBSIMT-UHFFFAOYSA-N
XLogP2.99
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The IUPAC name of 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CID 71240651) is 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.
What is the SMILES notation for 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The canonical SMILES for 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is CC(C)c1ccc2[nH]ncc2c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The InChIKey is OZRISQNUHBSIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BN2O2/c1-10(2)11-7-8-13-12(9-18-19-13)14(11)17-20-15(3,4)16(5,6)21-17/h7-10H,1-6H3,(H,18,19).
What are the key properties of 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole has a molecular weight of 286.18 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is sourced from PubChem (CID 71240651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).