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'} |
|---|
Analyze N-[[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
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).