5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C24H25F3N6O3 — CID 163292183

About 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292183) has the molecular formula C24H25F3N6O3 and a molecular weight of 502.50 g/mol. Its IUPAC name is 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 163292183
• Molecular Formula: C24H25F3N6O3
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.19
• IUPAC Name: 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C45CC(C(F)(F)F)(C4)C5)no3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C24H25F3N6O3/c1-12(2)33-20(28)18(21(29)35)19(31-33)14-5-3-13(4-6-14)7-16(34)30-17-8-15(32-36-17)22-9-23(10-22,11-22)24(25,26)27/h3-6,8,12H,7,9-11,28H2,1-2H3,(H2,29,35)(H,30,34)
• InChIKey: NGSQTWVJCWBWEA-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292183) is 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C45CC(C(F)(F)F)(C4)C5)no3)cc2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is NGSQTWVJCWBWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3/c1-12(2)33-20(28)18(21(29)35)19(31-33)14-5-3-13(4-6-14)7-16(34)30-17-8-15(32-36-17)22-9-23(10-22,11-22)24(25,26)27/h3-6,8,12H,7,9-11,28H2,1-2H3,(H2,29,35)(H,30,34).

What are the key properties of 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[2-oxo-2-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).