5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide

C23H25F3N6O3 — CID 164607711

About 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide

5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide (PubChem CID 164607711) has the molecular formula C23H25F3N6O3 and a molecular weight of 490.49 g/mol. Its IUPAC name is 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
• PubChem CID: 164607711
• Molecular Formula: C23H25F3N6O3
• Molecular Weight: 490.49 g/mol
• Exact Mass: 490.19
• IUPAC Name: 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
• SMILES: CC1(n2nc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)cc3)c(C(N)=O)c2N)CC1
• InChI: InChI=1S/C23H25F3N6O3/c1-21(2,23(24,25)26)14-11-16(35-31-14)29-15(33)10-12-4-6-13(7-5-12)18-17(20(28)34)19(27)32(30-18)22(3)8-9-22/h4-7,11H,8-10,27H2,1-3H3,(H2,28,34)(H,29,33)
• InChIKey: FLDFAQHFTLTSIW-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.49
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide (CID 164607711) is 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide is CC1(n2nc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)cc3)c(C(N)=O)c2N)CC1.

What is the InChIKey of 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide?

The InChIKey is FLDFAQHFTLTSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3/c1-21(2,23(24,25)26)14-11-16(35-31-14)29-15(33)10-12-4-6-13(7-5-12)18-17(20(28)34)19(27)32(30-18)22(3)8-9-22/h4-7,11H,8-10,27H2,1-3H3,(H2,28,34)(H,29,33).

What are the key properties of 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide?

5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(1-methylcyclopropyl)-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164607711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).