N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide

C23H28F3N5O3Si — CID 66637005

About N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide

N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide (PubChem CID 66637005) has the molecular formula C23H28F3N5O3Si and a molecular weight of 507.59 g/mol. Its IUPAC name is N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
• PubChem CID: 66637005
• Molecular Formula: C23H28F3N5O3Si
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)NCc2ccc(-c3ccccc3OC(F)(F)F)c(N)n2)cn1
• InChI: InChI=1S/C23H28F3N5O3Si/c1-35(2,3)11-10-33-15-31-14-16(12-29-31)22(32)28-13-17-8-9-19(21(27)30-17)18-6-4-5-7-20(18)34-23(24,25)26/h4-9,12,14H,10-11,13,15H2,1-3H3,(H2,27,30)(H,28,32)
• InChIKey: LAVHRSVTXVMAHM-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
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-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?

The IUPAC name of N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide (CID 66637005) is N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide is C[Si](C)(C)CCOCn1cc(C(=O)NCc2ccc(-c3ccccc3OC(F)(F)F)c(N)n2)cn1.

What is the InChIKey of N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?

The InChIKey is LAVHRSVTXVMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O3Si/c1-35(2,3)11-10-33-15-31-14-16(12-29-31)22(32)28-13-17-8-9-19(21(27)30-17)18-6-4-5-7-20(18)34-23(24,25)26/h4-9,12,14H,10-11,13,15H2,1-3H3,(H2,27,30)(H,28,32).

What are the key properties of N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?

N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 4.67, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 66637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).