N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C38H57N5O3Si — CID 164960507

About N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 164960507) has the molecular formula C38H57N5O3Si and a molecular weight of 659.99 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 164960507
• Molecular Formula: C38H57N5O3Si
• Molecular Weight: 659.99 g/mol
• Exact Mass: 659.42
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)c1nn(COCC[Si](C)(C)C)c(C(C)C)c1-c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1
• InChI: InChI=1S/C38H57N5O3Si/c1-24(2)35-34(37(25(3)4)42(41-35)23-46-20-21-47(7,8)9)30-12-10-27(11-13-30)22-32(44)36(33(28-14-15-28)29-16-17-29)40-38(45)31-18-19-39-43(31)26(5)6/h10-13,18-19,24-26,28-29,33,36H,14-17,20-23H2,1-9H3,(H,40,45)/t36-/m1/s1
• InChIKey: YRNROHFTAILKMS-PSXMRANNSA-N
• XLogP: 8.23
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.99
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 164960507) is N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)c1nn(COCC[Si](C)(C)C)c(C(C)C)c1-c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is YRNROHFTAILKMS-PSXMRANNSA-N. The full InChI is InChI=1S/C38H57N5O3Si/c1-24(2)35-34(37(25(3)4)42(41-35)23-46-20-21-47(7,8)9)30-12-10-27(11-13-30)22-32(44)36(33(28-14-15-28)29-16-17-29)40-38(45)31-18-19-39-43(31)26(5)6/h10-13,18-19,24-26,28-29,33,36H,14-17,20-23H2,1-9H3,(H,40,45)/t36-/m1/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 659.99 g/mol, XLogP of 8.23, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-4-[4-[3,5-di(propan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-oxobutan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 164960507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).