5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C25H26F3N3O3 — CID 55806994

About 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55806994) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• PubChem CID: 55806994
• Molecular Formula: C25H26F3N3O3
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.19
• IUPAC Name: 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• SMILES: CCOCCOCc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1
• InChI: InChI=1S/C25H26F3N3O3/c1-2-33-11-12-34-16-17-5-3-7-20(13-17)30-24(32)22-15-29-31(23(22)18-9-10-18)21-8-4-6-19(14-21)25(26,27)28/h3-8,13-15,18H,2,9-12,16H2,1H3,(H,30,32)
• InChIKey: GPAQAEFQUNJUPC-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	5.57
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 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 55806994) is 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CCOCCOCc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1.

What is the InChIKey of 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The InChIKey is GPAQAEFQUNJUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c1-2-33-11-12-34-16-17-5-3-7-20(13-17)30-24(32)22-15-29-31(23(22)18-9-10-18)21-8-4-6-19(14-21)25(26,27)28/h3-8,13-15,18H,2,9-12,16H2,1H3,(H,30,32).

What are the key properties of 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55806994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).