N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

C24H24ClN3O3 — CID 19295408

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19295408) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19295408
• Molecular Formula: C24H24ClN3O3
• Molecular Weight: 437.93 g/mol
• Exact Mass: 437.15
• IUPAC Name: N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• SMILES: Cc1nn(CCCNC(=O)c2ccc(COc3cccc4ccccc34)o2)c(C)c1Cl
• InChI: InChI=1S/C24H24ClN3O3/c1-16-23(25)17(2)28(27-16)14-6-13-26-24(29)22-12-11-19(31-22)15-30-21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-12H,6,13-15H2,1-2H3,(H,26,29)
• InChIKey: RKVDOGVNHFPMMM-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.93
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19295408) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is Cc1nn(CCCNC(=O)c2ccc(COc3cccc4ccccc34)o2)c(C)c1Cl.

What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The InChIKey is RKVDOGVNHFPMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-16-23(25)17(2)28(27-16)14-6-13-26-24(29)22-12-11-19(31-22)15-30-21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-12H,6,13-15H2,1-2H3,(H,26,29).

What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19295408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).