4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide

C₂₅H₂₆N₆O — CID 122323625

About 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide

4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 122323625) has the molecular formula C₂₅H₂₆N₆O and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
• PubChem CID: 122323625
• Molecular Formula: C₂₅H₂₆N₆O
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.22
• IUPAC Name: 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
• SMILES: Cc1nn(-c2ccc(NCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)c(C)c1C
• InChI: InChI=1S/C25H26N6O/c1-17-18(2)30-31(19(17)3)24-14-13-23(28-29-24)26-15-16-27-25(32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,32)
• InChIKey: UHGHXPNDRJWMEA-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?

The IUPAC name of 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide (CID 122323625) is 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide.

What is the SMILES notation for 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?

The canonical SMILES for 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide is Cc1nn(-c2ccc(NCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)c(C)c1C.

What is the InChIKey of 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?

The InChIKey is UHGHXPNDRJWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-17-18(2)30-31(19(17)3)24-14-13-23(28-29-24)26-15-16-27-25(32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,32).

What are the key properties of 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?

4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122323625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122323625 — identifiers, structure, computed properties (public domain)

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