N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

C26H22N4O5 — CID 19400405

About N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19400405) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
• PubChem CID: 19400405
• Molecular Formula: C26H22N4O5
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.16
• IUPAC Name: N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
• SMILES: Cn1cc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c(C(=O)NCc2ccco2)n1
• InChI: InChI=1S/C26H22N4O5/c1-30-15-21(24(29-30)26(32)27-14-18-8-5-13-33-18)28-25(31)23-12-11-19(35-23)16-34-22-10-4-7-17-6-2-3-9-20(17)22/h2-13,15H,14,16H2,1H3,(H,27,32)(H,28,31)
• InChIKey: JFJUAPBORMQSDI-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 111.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (CID 19400405) is N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is Cn1cc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c(C(=O)NCc2ccco2)n1.

What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?

The InChIKey is JFJUAPBORMQSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5/c1-30-15-21(24(29-30)26(32)27-14-18-8-5-13-33-18)28-25(31)23-12-11-19(35-23)16-34-22-10-4-7-17-6-2-3-9-20(17)22/h2-13,15H,14,16H2,1H3,(H,27,32)(H,28,31).

What are the key properties of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?

N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 470.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19400405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).