N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

C27H23N3O3 — CID 19284791

About N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19284791) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19284791
• Molecular Formula: C27H23N3O3
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• SMILES: Cc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)n1
• InChI: InChI=1S/C27H23N3O3/c1-19-7-2-3-9-21(19)17-30-16-15-26(29-30)28-27(31)25-14-13-22(33-25)18-32-24-12-6-10-20-8-4-5-11-23(20)24/h2-16H,17-18H2,1H3,(H,28,29,31)
• InChIKey: HVHGERJQDAAGNB-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19284791) is N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is Cc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)n1.

What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The InChIKey is HVHGERJQDAAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-19-7-2-3-9-21(19)17-30-16-15-26(29-30)28-27(31)25-14-13-22(33-25)18-32-24-12-6-10-20-8-4-5-11-23(20)24/h2-16H,17-18H2,1H3,(H,28,29,31).

What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19284791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).