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

C22H27N5O3 — CID 90538991

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

2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide (PubChem CID 90538991) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
• PubChem CID: 90538991
• Molecular Formula: C22H27N5O3
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.21
• IUPAC Name: 2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)C(C)Oc3ccc(C)c(C)c3)n2)n1
• InChI: InChI=1S/C22H27N5O3/c1-14-6-7-19(12-15(14)2)30-18(5)22(29)23-10-11-26-21(28)9-8-20(25-26)27-17(4)13-16(3)24-27/h6-9,12-13,18H,10-11H2,1-5H3,(H,23,29)
• InChIKey: FBAZVUQXRQOTDU-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide (CID 90538991) is 2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide.

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

The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide is Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)C(C)Oc3ccc(C)c(C)c3)n2)n1.

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

The InChIKey is FBAZVUQXRQOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14-6-7-19(12-15(14)2)30-18(5)22(29)23-10-11-26-21(28)9-8-20(25-26)27-17(4)13-16(3)24-27/h6-9,12-13,18H,10-11H2,1-5H3,(H,23,29).

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

2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide has a molecular weight of 409.49 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 90538991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).