N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H22F3N5O3 — CID 91909712

About N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 91909712) has the molecular formula C18H22F3N5O3 and a molecular weight of 413.40 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
• PubChem CID: 91909712
• Molecular Formula: C18H22F3N5O3
• Molecular Weight: 413.40 g/mol
• Exact Mass: 413.17
• IUPAC Name: N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
• SMILES: COCCN1C(=O)c2cccn2CC1CNC(=O)Cn1nc(C(F)(F)F)cc1C
• InChI: InChI=1S/C18H22F3N5O3/c1-12-8-15(18(19,20)21)23-26(12)11-16(27)22-9-13-10-24-5-3-4-14(24)17(28)25(13)6-7-29-2/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,22,27)
• InChIKey: XUNSBCOMAHSXOY-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 81.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.40
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 91909712) is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

What is the SMILES notation for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The canonical SMILES for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COCCN1C(=O)c2cccn2CC1CNC(=O)Cn1nc(C(F)(F)F)cc1C.

What is the InChIKey of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The InChIKey is XUNSBCOMAHSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O3/c1-12-8-15(18(19,20)21)23-26(12)11-16(27)22-9-13-10-24-5-3-4-14(24)17(28)25(13)6-7-29-2/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,22,27).

What are the key properties of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 413.40 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 91909712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).