About 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide
2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 162543700) has the molecular formula C27H30F3N3O4
and a molecular weight of 517.55 g/mol. Its IUPAC name is 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide.
Molecular Properties
| Compound Name | 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide |
|---|
| PubChem CID | 162543700 |
|---|
| Molecular Formula | C27H30F3N3O4 |
|---|
| Molecular Weight | 517.55 g/mol |
|---|
| Exact Mass | 517.22 |
|---|
| IUPAC Name | 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide |
|---|
| SMILES | CCC(C)(O)CCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 |
|---|
| InChI | InChI=1S/C27H30F3N3O4/c1-5-25(4,35)10-11-37-17-12-19(16-14-32-33(15-16)24(2,3)23(31)34)22-18-8-6-7-9-20(18)26(36,21(22)13-17)27(28,29)30/h6-9,12-15,35-36H,5,10-11H2,1-4H3,(H2,31,34)/t25?,26-/m1/s1 |
|---|
| InChIKey | PQIZZYJPZSNGFZ-FXDYGKIASA-N |
|---|
| XLogP | 4.48 |
|---|
| TPSA | 110.60 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 517.55 |
| LogP ≤ 5 | 4.48 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide 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 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide (CID 162543700) is 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide is CCC(C)(O)CCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is PQIZZYJPZSNGFZ-FXDYGKIASA-N. The full InChI is InChI=1S/C27H30F3N3O4/c1-5-25(4,35)10-11-37-17-12-19(16-14-32-33(15-16)24(2,3)23(31)34)22-18-8-6-7-9-20(18)26(36,21(22)13-17)27(28,29)30/h6-9,12-15,35-36H,5,10-11H2,1-4H3,(H2,31,34)/t25?,26-/m1/s1.
What are the key properties of 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide?
2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 517.55 g/mol, XLogP of 4.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 162543700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).