N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide

C24H23N5O3 — CID 90539115

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide (PubChem CID 90539115) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide
• PubChem CID: 90539115
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc(Oc4ccccc4)cc3)n2)n1
• InChI: InChI=1S/C24H23N5O3/c1-17-16-18(2)29(26-17)22-12-13-23(30)28(27-22)15-14-25-24(31)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H,25,31)
• InChIKey: FHEVBUBNFPQGAF-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide?

The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide (CID 90539115) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide.

What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide?

The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide is Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc(Oc4ccccc4)cc3)n2)n1.

What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide?

The InChIKey is FHEVBUBNFPQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-17-16-18(2)29(26-17)22-12-13-23(30)28(27-22)15-14-25-24(31)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H,25,31).

What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide?

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide has a molecular weight of 429.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 90539115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).