[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate

C23H25N5O4S — CID 46605128

About [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate

[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 46605128) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
• PubChem CID: 46605128
• Molecular Formula: C23H25N5O4S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.16
• IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
• SMILES: CC(C)c1c(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cnn1-c1ccccn1
• InChI: InChI=1S/C23H25N5O4S/c1-16(2)21-17(14-25-28(21)19-7-3-4-8-24-19)23(31)32-15-20(29)26-9-11-27(12-10-26)22(30)18-6-5-13-33-18/h3-8,13-14,16H,9-12,15H2,1-2H3
• InChIKey: UWZCMBACVFNKKV-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 97.63 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate?

The IUPAC name of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 46605128) is [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate.

What is the SMILES notation for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate?

The canonical SMILES for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate is CC(C)c1c(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cnn1-c1ccccn1.

What is the InChIKey of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate?

The InChIKey is UWZCMBACVFNKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-16(2)21-17(14-25-28(21)19-7-3-4-8-24-19)23(31)32-15-20(29)26-9-11-27(12-10-26)22(30)18-6-5-13-33-18/h3-8,13-14,16H,9-12,15H2,1-2H3.

What are the key properties of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate?

[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 46605128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).