5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide

C25H33N5O3 — CID 163570570

About 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide

5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide (PubChem CID 163570570) has the molecular formula C25H33N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide
• PubChem CID: 163570570
• Molecular Formula: C25H33N5O3
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.28
• IUPAC Name: 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide
• SMILES: [2H]C([2H])([2H])C([2H])(C)n1nc(-c2ccc(C(C)C(=O)Cc3cc(CC(C)(C)C)no3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C25H33N5O3/c1-14(2)30-23(26)21(24(27)32)22(28-30)17-9-7-16(8-10-17)15(3)20(31)12-19-11-18(29-33-19)13-25(4,5)6/h7-11,14-15H,12-13,26H2,1-6H3,(H2,27,32)/i1D3,14D
• InChIKey: FYZFNWAJMNFCBG-CZEVESCESA-N
• XLogP: 4.30
• TPSA: 130.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.60
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide (CID 163570570) is 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide is [2H]C([2H])([2H])C([2H])(C)n1nc(-c2ccc(C(C)C(=O)Cc3cc(CC(C)(C)C)no3)cc2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide?

The InChIKey is FYZFNWAJMNFCBG-CZEVESCESA-N. The full InChI is InChI=1S/C25H33N5O3/c1-14(2)30-23(26)21(24(27)32)22(28-30)17-9-7-16(8-10-17)15(3)20(31)12-19-11-18(29-33-19)13-25(4,5)6/h7-11,14-15H,12-13,26H2,1-6H3,(H2,27,32)/i1D3,14D.

What are the key properties of 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide?

5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 163570570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).