2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

C₁₃H₁₈N₄O₂S — CID 61113367

About 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 61113367) has the molecular formula C₁₃H₁₈N₄O₂S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 61113367
• Molecular Formula: C₁₃H₁₈N₄O₂S
• Molecular Weight: 294.38 g/mol
• Exact Mass: 294.12
• IUPAC Name: 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
• SMILES: COCCN(Cc1cccs1)C(=O)Cn1cc(N)cn1
• InChI: InChI=1S/C13H18N4O2S/c1-19-5-4-16(9-12-3-2-6-20-12)13(18)10-17-8-11(14)7-15-17/h2-3,6-8H,4-5,9-10,14H2,1H3
• InChIKey: AUJUYXGDLCIPPJ-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 73.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.38
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 61113367) is 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide is COCCN(Cc1cccs1)C(=O)Cn1cc(N)cn1.

What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is AUJUYXGDLCIPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-19-5-4-16(9-12-3-2-6-20-12)13(18)10-17-8-11(14)7-15-17/h2-3,6-8H,4-5,9-10,14H2,1H3.

What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?

2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 61113367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61113367 — identifiers, structure, computed properties (public domain)

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