N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C24H31N5O — CID 16673897

About N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide

N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 16673897) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 16673897
• Molecular Formula: C24H31N5O
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.25
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1ccccc1-n1nc(C)c(CC(=O)N(CCN(C)C)Cc2cccnc2)c1C
• InChI: InChI=1S/C24H31N5O/c1-18-9-6-7-11-23(18)29-20(3)22(19(2)26-29)15-24(30)28(14-13-27(4)5)17-21-10-8-12-25-16-21/h6-12,16H,13-15,17H2,1-5H3
• InChIKey: PYZGEGPBPPSOCJ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.55
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 16673897) is N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1ccccc1-n1nc(C)c(CC(=O)N(CCN(C)C)Cc2cccnc2)c1C.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is PYZGEGPBPPSOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-18-9-6-7-11-23(18)29-20(3)22(19(2)26-29)15-24(30)28(14-13-27(4)5)17-21-10-8-12-25-16-21/h6-12,16H,13-15,17H2,1-5H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?

N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 405.55 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 16673897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).