1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide

C₁₀H₉F₂N₅ — CID 121210919

About 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide

1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide (PubChem CID 121210919) has the molecular formula C₁₀H₉F₂N₅ and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide.

Molecular Properties

• Compound Name: 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
• PubChem CID: 121210919
• Molecular Formula: C₁₀H₉F₂N₅
• Molecular Weight: 237.21 g/mol
• Exact Mass: 237.08
• IUPAC Name: 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
• SMILES: [H]/N=C(\N)c1cc(-c2ccncc2)nn1C(F)F
• InChI: InChI=1S/C10H9F2N5/c11-10(12)17-8(9(13)14)5-7(16-17)6-1-3-15-4-2-6/h1-5,10H,(H3,13,14)
• InChIKey: QVCPAZSRLIRMBC-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 80.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.21
LogP ≤ 5	1.62
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 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?

The IUPAC name of 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide (CID 121210919) is 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide.

What is the SMILES notation for 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?

The canonical SMILES for 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2ccncc2)nn1C(F)F.

What is the InChIKey of 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?

The InChIKey is QVCPAZSRLIRMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5/c11-10(12)17-8(9(13)14)5-7(16-17)6-1-3-15-4-2-6/h1-5,10H,(H3,13,14).

What are the key properties of 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?

1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide has a molecular weight of 237.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide is sourced from PubChem (CID 121210919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121210919 — identifiers, structure, computed properties (public domain)

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