N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide

C₁₄H₁₃N₃O₂ — CID 112527200

About N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide

N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide (PubChem CID 112527200) has the molecular formula C₁₄H₁₃N₃O₂ and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide
• PubChem CID: 112527200
• Molecular Formula: C₁₄H₁₃N₃O₂
• Molecular Weight: 255.28 g/mol
• Exact Mass: 255.10
• IUPAC Name: N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide
• SMILES: Cc1coc(C)c1C(=O)Nc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C14H13N3O2/c1-8-7-19-9(2)13(8)14(18)16-11-3-4-12-10(5-11)6-15-17-12/h3-7H,1-2H3,(H,15,17)(H,16,18)
• InChIKey: OFWNDUNEZRJRNK-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 70.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.28
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide?

The IUPAC name of N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide (CID 112527200) is N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide.

What is the SMILES notation for N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide?

The canonical SMILES for N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide is Cc1coc(C)c1C(=O)Nc1ccc2[nH]ncc2c1.

What is the InChIKey of N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide?

The InChIKey is OFWNDUNEZRJRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-7-19-9(2)13(8)14(18)16-11-3-4-12-10(5-11)6-15-17-12/h3-7H,1-2H3,(H,15,17)(H,16,18).

What are the key properties of N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide?

N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide is sourced from PubChem (CID 112527200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112527200 — identifiers, structure, computed properties (public domain)

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