ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C77H97BF3IN12O4Si2 — CID 161087024

About ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (PubChem CID 161087024) has the molecular formula C77H97BF3IN12O4Si2 and a molecular weight of 1505.58 g/mol. Its IUPAC name is ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

Molecular Properties

• Compound Name: ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• PubChem CID: 161087024
• Molecular Formula: C77H97BF3IN12O4Si2
• Molecular Weight: 1505.58 g/mol
• Exact Mass: 1504.64
• IUPAC Name: ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• SMILES: CC.CC(C)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1.CC(C)c1c(-c2ccc3[nH]ncc3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC(C)c1c(I)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC1(C)OB(c2ccc3[nH]ncc3c2)OC1(C)C
• InChI: InChI=1S/C25H31FN4OSi.C19H17FN4.C18H26FIN2OSi.C13H17BN2O2.C2H6/c1-17(2)25-23(19-8-11-22-20(14-19)15-27-28-22)24(18-6-9-21(26)10-7-18)29-30(25)16-31-12-13-32(3,4)5;1-11(2)18-17(13-5-8-16-14(9-13)10-21-22-16)19(24-23-18)12-3-6-15(20)7-4-12;1-13(2)18-16(20)17(14-6-8-15(19)9-7-14)21-22(18)12-23-10-11-24(3,4)5;1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11;1-2/h6-11,14-15,17H,12-13,16H2,1-5H3,(H,27,28);3-11H,1-2H3,(H,21,22)(H,23,24);6-9,13H,10-12H2,1-5H3;5-8H,1-4H3,(H,15,16);1-2H3
• InChIKey: UGQSVKOKSZLZFE-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 187.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.58
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The IUPAC name of ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CID 161087024) is ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

What is the SMILES notation for ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The canonical SMILES for ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is CC.CC(C)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1.CC(C)c1c(-c2ccc3[nH]ncc3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC(C)c1c(I)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC1(C)OB(c2ccc3[nH]ncc3c2)OC1(C)C.

What is the InChIKey of ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The InChIKey is UGQSVKOKSZLZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4OSi.C19H17FN4.C18H26FIN2OSi.C13H17BN2O2.C2H6/c1-17(2)25-23(19-8-11-22-20(14-19)15-27-28-22)24(18-6-9-21(26)10-7-18)29-30(25)16-31-12-13-32(3,4)5;1-11(2)18-17(13-5-8-16-14(9-13)10-21-22-16)19(24-23-18)12-3-6-15(20)7-4-12;1-13(2)18-16(20)17(14-6-8-15(19)9-7-14)21-22(18)12-23-10-11-24(3,4)5;1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11;1-2/h6-11,14-15,17H,12-13,16H2,1-5H3,(H,27,28);3-11H,1-2H3,(H,21,22)(H,23,24);6-9,13H,10-12H2,1-5H3;5-8H,1-4H3,(H,15,16);1-2H3.

What are the key properties of ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole has a molecular weight of 1505.58 g/mol, XLogP of 20.17, 19 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is sourced from PubChem (CID 161087024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).