2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C22H26N6O4 — CID 51132559

About 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 51132559) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 51132559
• Molecular Formula: C22H26N6O4
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.20
• IUPAC Name: 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: CC(=O)C1CC(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)=NN1c1ccccc1
• InChI: InChI=1S/C22H26N6O4/c1-15-12-20(25-32-15)23-21(30)14-26-8-10-27(11-9-26)22(31)18-13-19(16(2)29)28(24-18)17-6-4-3-5-7-17/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,23,25,30)
• InChIKey: OIDNKEYNISZBRY-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 111.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 51132559) is 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)C1CC(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)=NN1c1ccccc1.

What is the InChIKey of 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is OIDNKEYNISZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-15-12-20(25-32-15)23-21(30)14-26-8-10-27(11-9-26)22(31)18-13-19(16(2)29)28(24-18)17-6-4-3-5-7-17/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,23,25,30).

What are the key properties of 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 438.49 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 51132559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).