2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide

C20H30N4O — CID 119439959

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide (PubChem CID 119439959) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide
• PubChem CID: 119439959
• Molecular Formula: C20H30N4O
• Molecular Weight: 342.49 g/mol
• Exact Mass: 342.24
• IUPAC Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide
• SMILES: CCNCc1ccccc1NC(=O)Cc1c(C)nn(CC(C)C)c1C
• InChI: InChI=1S/C20H30N4O/c1-6-21-12-17-9-7-8-10-19(17)22-20(25)11-18-15(4)23-24(16(18)5)13-14(2)3/h7-10,14,21H,6,11-13H2,1-5H3,(H,22,25)
• InChIKey: FSQYJRASRWYXGO-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.49
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide?

The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide (CID 119439959) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide.

What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide?

The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide is CCNCc1ccccc1NC(=O)Cc1c(C)nn(CC(C)C)c1C.

What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide?

The InChIKey is FSQYJRASRWYXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-6-21-12-17-9-7-8-10-19(17)22-20(25)11-18-15(4)23-24(16(18)5)13-14(2)3/h7-10,14,21H,6,11-13H2,1-5H3,(H,22,25).

What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide?

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide has a molecular weight of 342.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 119439959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).