2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide

C₁₈H₂₆N₆O₂ — CID 154796001

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 154796001) has the molecular formula C₁₈H₂₆N₆O₂ and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
• PubChem CID: 154796001
• Molecular Formula: C₁₈H₂₆N₆O₂
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
• SMILES: CCN1C(=O)C[C@@H](CNC(=O)Cn2nc(C)cc2C)[C@@H]1c1nccn1C
• InChI: InChI=1S/C18H26N6O2/c1-5-23-16(26)9-14(17(23)18-19-6-7-22(18)4)10-20-15(25)11-24-13(3)8-12(2)21-24/h6-8,14,17H,5,9-11H2,1-4H3,(H,20,25)/t14-,17+/m0/s1
• InChIKey: JOTVIFOVICZVSC-WMLDXEAASA-N
• XLogP: 0.96
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide?

The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 154796001) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide?

The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide is CCN1C(=O)C[C@@H](CNC(=O)Cn2nc(C)cc2C)[C@@H]1c1nccn1C.

What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide?

The InChIKey is JOTVIFOVICZVSC-WMLDXEAASA-N. The full InChI is InChI=1S/C18H26N6O2/c1-5-23-16(26)9-14(17(23)18-19-6-7-22(18)4)10-20-15(25)11-24-13(3)8-12(2)21-24/h6-8,14,17H,5,9-11H2,1-4H3,(H,20,25)/t14-,17+/m0/s1.

What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide?

2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 154796001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154796001 — identifiers, structure, computed properties (public domain)

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