3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide

C23H26N4O5S — CID 121126846

About 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 121126846) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide
• PubChem CID: 121126846
• Molecular Formula: C23H26N4O5S
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.16
• IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide
• SMILES: COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3C)n(C)n2)c1
• InChI: InChI=1S/C23H26N4O5S/c1-15-6-7-16(27-10-5-11-33(27,29)30)12-19(15)24-23(28)21-14-20(25-26(21)2)18-13-17(31-3)8-9-22(18)32-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,24,28)
• InChIKey: IPYGOZYLACFBTA-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide?

The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide (CID 121126846) is 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide.

What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide?

The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3C)n(C)n2)c1.

What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide?

The InChIKey is IPYGOZYLACFBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15-6-7-16(27-10-5-11-33(27,29)30)12-19(15)24-23(28)21-14-20(25-26(21)2)18-13-17(31-3)8-9-22(18)32-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,24,28).

What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide?

3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dimethoxyphenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 121126846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).