[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate

C₂₀H₂₇N₃O₄ — CID 8598584

About [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate (PubChem CID 8598584) has the molecular formula C₂₀H₂₇N₃O₄ and a molecular weight of 373.45 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

• Compound Name: [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
• PubChem CID: 8598584
• Molecular Formula: C₂₀H₂₇N₃O₄
• Molecular Weight: 373.45 g/mol
• Exact Mass: 373.20
• IUPAC Name: [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
• SMILES: CC(C)c1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1
• InChI: InChI=1S/C20H27N3O4/c1-13(2)16-6-8-17(9-7-16)26-12-19(24)27-15(5)20(25)22-18-10-11-21-23(18)14(3)4/h6-11,13-15H,12H2,1-5H3,(H,22,25)/t15-/m1/s1
• InChIKey: FDTRZHSXEJYMQT-OAHLLOKOSA-N
• XLogP: 3.54
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.45
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate?

The IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate (CID 8598584) is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate.

What is the SMILES notation for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate?

The canonical SMILES for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate is CC(C)c1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1.

What is the InChIKey of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate?

The InChIKey is FDTRZHSXEJYMQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13(2)16-6-8-17(9-7-16)26-12-19(24)27-15(5)20(25)22-18-10-11-21-23(18)14(3)4/h6-11,13-15H,12H2,1-5H3,(H,22,25)/t15-/m1/s1.

What are the key properties of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate?

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 373.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8598584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8598584 — identifiers, structure, computed properties (public domain)

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