5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide

C18H26N4O4S — CID 110312137

About 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 110312137) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
• PubChem CID: 110312137
• Molecular Formula: C18H26N4O4S
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.17
• IUPAC Name: 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
• SMILES: O=C(NCC(=O)N1CCCCC1)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1
• InChI: InChI=1S/C18H26N4O4S/c23-17(21-7-2-1-3-8-21)11-19-18(24)15-10-16(13-4-5-13)22(20-15)14-6-9-27(25,26)12-14/h10,13-14H,1-9,11-12H2,(H,19,24)
• InChIKey: ZNPDHUYFFDVFRJ-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide (CID 110312137) is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide is O=C(NCC(=O)N1CCCCC1)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1.

What is the InChIKey of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?

The InChIKey is ZNPDHUYFFDVFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c23-17(21-7-2-1-3-8-21)11-19-18(24)15-10-16(13-4-5-13)22(20-15)14-6-9-27(25,26)12-14/h10,13-14H,1-9,11-12H2,(H,19,24).

What are the key properties of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110312137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).