2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde

C24H18N2O4S — CID 55358073

About 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde

2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde (PubChem CID 55358073) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde.

Molecular Properties

• Compound Name: 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde
• PubChem CID: 55358073
• Molecular Formula: C24H18N2O4S
• Molecular Weight: 430.49 g/mol
• Exact Mass: 430.10
• IUPAC Name: 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde
• SMILES: O=Cc1c(OCC(=O)N2N=C(c3ccco3)CC2c2cccs2)ccc2ccccc12
• InChI: InChI=1S/C24H18N2O4S/c27-14-18-17-6-2-1-5-16(17)9-10-21(18)30-15-24(28)26-20(23-8-4-12-31-23)13-19(25-26)22-7-3-11-29-22/h1-12,14,20H,13,15H2
• InChIKey: WNGDSDHRYXMEBT-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 72.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.49
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde?

The IUPAC name of 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde (CID 55358073) is 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde.

What is the SMILES notation for 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde?

The canonical SMILES for 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde is O=Cc1c(OCC(=O)N2N=C(c3ccco3)CC2c2cccs2)ccc2ccccc12.

What is the InChIKey of 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde?

The InChIKey is WNGDSDHRYXMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c27-14-18-17-6-2-1-5-16(17)9-10-21(18)30-15-24(28)26-20(23-8-4-12-31-23)13-19(25-26)22-7-3-11-29-22/h1-12,14,20H,13,15H2.

What are the key properties of 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde?

2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde has a molecular weight of 430.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 55358073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).