2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C53H78BrN7O4Si2 — CID 165073217

About 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 165073217) has the molecular formula C53H78BrN7O4Si2 and a molecular weight of 1013.33 g/mol. Its IUPAC name is 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 165073217
• Molecular Formula: C53H78BrN7O4Si2
• Molecular Weight: 1013.33 g/mol
• Exact Mass: 1011.48
• IUPAC Name: 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1nccc1C(=O)NC(C(=O)Cc1ccc(-c2c(C3CC3)nn(COCC[Si](C)(C)C)c2C2CC2)cc1)C(C1CC1)C1CC1.C[Si](C)(C)CCOCn1nc(C2CC2)c(Br)c1C1CC1
• InChI: InChI=1S/C38H53N5O3Si.C15H25BrN2OSi/c1-24(2)43-31(18-19-39-43)38(45)40-36(33(26-10-11-26)27-12-13-27)32(44)22-25-6-8-28(9-7-25)34-35(29-14-15-29)41-42(37(34)30-16-17-30)23-46-20-21-47(3,4)5;1-20(2,3)9-8-19-10-18-15(12-6-7-12)13(16)14(17-18)11-4-5-11/h6-9,18-19,24,26-27,29-30,33,36H,10-17,20-23H2,1-5H3,(H,40,45);11-12H,4-10H2,1-3H3
• InChIKey: TWJZWKNKPFYKHB-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 118.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.33
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 165073217) is 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NC(C(=O)Cc1ccc(-c2c(C3CC3)nn(COCC[Si](C)(C)C)c2C2CC2)cc1)C(C1CC1)C1CC1.C[Si](C)(C)CCOCn1nc(C2CC2)c(Br)c1C1CC1.

What is the InChIKey of 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is TWJZWKNKPFYKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H53N5O3Si.C15H25BrN2OSi/c1-24(2)43-31(18-19-39-43)38(45)40-36(33(26-10-11-26)27-12-13-27)32(44)22-25-6-8-28(9-7-25)34-35(29-14-15-29)41-42(37(34)30-16-17-30)23-46-20-21-47(3,4)5;1-20(2,3)9-8-19-10-18-15(12-6-7-12)13(16)14(17-18)11-4-5-11/h6-9,18-19,24,26-27,29-30,33,36H,10-17,20-23H2,1-5H3,(H,40,45);11-12H,4-10H2,1-3H3.

What are the key properties of 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 1013.33 g/mol, XLogP of 12.45, 24 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-bromo-3,5-dicyclopropylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;N-[1,1-dicyclopropyl-4-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 165073217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).