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

C24H32N6O3 — CID 162485684

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

5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide (PubChem CID 162485684) has the molecular formula C24H32N6O3 and a molecular weight of 455.58 g/mol. Its IUPAC name is 5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide
• PubChem CID: 162485684
• Molecular Formula: C24H32N6O3
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.27
• IUPAC Name: 5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide
• SMILES: [2H]C([2H])([2H])C(C)n1nc(-c2ccc(C(C)C(=O)Nc3cc(CC(C)(C)C)no3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C24H32N6O3/c1-13(2)30-21(25)19(22(26)31)20(28-30)16-9-7-15(8-10-16)14(3)23(32)27-18-11-17(29-33-18)12-24(4,5)6/h7-11,13-14H,12,25H2,1-6H3,(H2,26,31)(H,27,32)/i1D3
• InChIKey: CWYJLHGNNDTCDC-FIBGUPNXSA-N
• XLogP: 4.13
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide (CID 162485684) is 5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide.

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

The canonical SMILES for 5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide is [2H]C([2H])([2H])C(C)n1nc(-c2ccc(C(C)C(=O)Nc3cc(CC(C)(C)C)no3)cc2)c(C(N)=O)c1N.

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

The InChIKey is CWYJLHGNNDTCDC-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-13(2)30-21(25)19(22(26)31)20(28-30)16-9-7-15(8-10-16)14(3)23(32)27-18-11-17(29-33-18)12-24(4,5)6/h7-11,13-14H,12,25H2,1-6H3,(H2,26,31)(H,27,32)/i1D3.

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

5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 162485684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).