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

C21H25N5O3 — CID 90539005

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

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 90539005) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
• PubChem CID: 90539005
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
• SMILES: Cc1cccc(OC(C)C(=O)NCCn2nc(-n3nc(C)cc3C)ccc2=O)c1
• InChI: InChI=1S/C21H25N5O3/c1-14-6-5-7-18(12-14)29-17(4)21(28)22-10-11-25-20(27)9-8-19(24-25)26-16(3)13-15(2)23-26/h5-9,12-13,17H,10-11H2,1-4H3,(H,22,28)
• InChIKey: HKXBWPNVFYQDFD-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	1.94
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]-2-(3-methylphenoxy)propanamide?

The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide (CID 90539005) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide.

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

The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCCn2nc(-n3nc(C)cc3C)ccc2=O)c1.

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

The InChIKey is HKXBWPNVFYQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-6-5-7-18(12-14)29-17(4)21(28)22-10-11-25-20(27)9-8-19(24-25)26-16(3)13-15(2)23-26/h5-9,12-13,17H,10-11H2,1-4H3,(H,22,28).

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

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 395.46 g/mol, XLogP of 1.94, 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]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 90539005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).