N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

C28H25N3O4 — CID 19412988

About N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19412988) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19412988
• Molecular Formula: C28H25N3O4
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.18
• IUPAC Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• SMILES: Cc1ccc(OCn2cc(NC(=O)c3ccc(COc4cccc5ccccc45)o3)cn2)c(C)c1
• InChI: InChI=1S/C28H25N3O4/c1-19-10-12-25(20(2)14-19)34-18-31-16-22(15-29-31)30-28(32)27-13-11-23(35-27)17-33-26-9-5-7-21-6-3-4-8-24(21)26/h3-16H,17-18H2,1-2H3,(H,30,32)
• InChIKey: PMHWFVHFYUSWDD-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19412988) is N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is Cc1ccc(OCn2cc(NC(=O)c3ccc(COc4cccc5ccccc45)o3)cn2)c(C)c1.

What is the InChIKey of N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The InChIKey is PMHWFVHFYUSWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-19-10-12-25(20(2)14-19)34-18-31-16-22(15-29-31)30-28(32)27-13-11-23(35-27)17-33-26-9-5-7-21-6-3-4-8-24(21)26/h3-16H,17-18H2,1-2H3,(H,30,32).

What are the key properties of N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19412988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).