2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide

C₁₀H₁₁N₅ — CID 121213947

About 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide

2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide (PubChem CID 121213947) has the molecular formula C₁₀H₁₁N₅ and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide.

Molecular Properties

• Compound Name: 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide
• PubChem CID: 121213947
• Molecular Formula: C₁₀H₁₁N₅
• Molecular Weight: 201.23 g/mol
• Exact Mass: 201.10
• IUPAC Name: 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide
• SMILES: [H]/N=C(\N)Cn1cc(-c2cccnc2)cn1
• InChI: InChI=1S/C10H11N5/c11-10(12)7-15-6-9(5-14-15)8-2-1-3-13-4-8/h1-6H,7H2,(H3,11,12)
• InChIKey: YJUMNDHHBUDIDF-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 80.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.23
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide?

The IUPAC name of 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide (CID 121213947) is 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide.

What is the SMILES notation for 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide?

The canonical SMILES for 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide is [H]/N=C(\N)Cn1cc(-c2cccnc2)cn1.

What is the InChIKey of 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide?

The InChIKey is YJUMNDHHBUDIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-10(12)7-15-6-9(5-14-15)8-2-1-3-13-4-8/h1-6H,7H2,(H3,11,12).

What are the key properties of 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide?

2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide has a molecular weight of 201.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide is sourced from PubChem (CID 121213947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121213947 — identifiers, structure, computed properties (public domain)

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