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

C18H21N7O3 — CID 121121614

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

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121121614) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
• PubChem CID: 121121614
• Molecular Formula: C18H21N7O3
• Molecular Weight: 383.41 g/mol
• Exact Mass: 383.17
• IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCCn3cnccc3=O)n2)n1
• InChI: InChI=1S/C18H21N7O3/c1-12-10-13(2)24(21-12)15-4-5-17(27)25(22-15)14(3)18(28)20-8-9-23-11-19-7-6-16(23)26/h4-7,10-11,14H,8-9H2,1-3H3,(H,20,28)
• InChIKey: BBLKTIDYBOKJQA-UHFFFAOYSA-N
• XLogP: -0.02
• TPSA: 116.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.41
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121121614) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide.

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

The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide is Cc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCCn3cnccc3=O)n2)n1.

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

The InChIKey is BBLKTIDYBOKJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-12-10-13(2)24(21-12)15-4-5-17(27)25(22-15)14(3)18(28)20-8-9-23-11-19-7-6-16(23)26/h4-7,10-11,14H,8-9H2,1-3H3,(H,20,28).

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

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 383.41 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121121614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).