N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide

C23H22N4O3S — CID 50750622

About N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide

N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide (PubChem CID 50750622) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide
• PubChem CID: 50750622
• Molecular Formula: C23H22N4O3S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.14
• IUPAC Name: N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide
• SMILES: COc1ccc(NC(=O)Cc2c(C)[nH]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)cc1
• InChI: InChI=1S/C23H22N4O3S/c1-14-4-6-16(7-5-14)20-13-31-23(25-20)27-22(29)19(15(2)26-27)12-21(28)24-17-8-10-18(30-3)11-9-17/h4-11,13,26H,12H2,1-3H3,(H,24,28)
• InChIKey: GQFNPNITDIZGFV-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 89.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide (CID 50750622) is N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide.

What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide?

The canonical SMILES for N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2c(C)[nH]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide?

The InChIKey is GQFNPNITDIZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-4-6-16(7-5-14)20-13-31-23(25-20)27-22(29)19(15(2)26-27)12-21(28)24-17-8-10-18(30-3)11-9-17/h4-11,13,26H,12H2,1-3H3,(H,24,28).

What are the key properties of N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide?

N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 50750622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).