5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide

C17H22N4O4S — CID 110310800

About 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 110310800) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide
• PubChem CID: 110310800
• Molecular Formula: C17H22N4O4S
• Molecular Weight: 378.45 g/mol
• Exact Mass: 378.14
• IUPAC Name: 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(CCNC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)no1
• InChI: InChI=1S/C17H22N4O4S/c1-11-8-13(20-25-11)4-6-18-17(22)15-9-16(12-2-3-12)21(19-15)14-5-7-26(23,24)10-14/h8-9,12,14H,2-7,10H2,1H3,(H,18,22)
• InChIKey: JOFGNHMIXYEASZ-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 107.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.45
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide (CID 110310800) is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide is Cc1cc(CCNC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)no1.

What is the InChIKey of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide?

The InChIKey is JOFGNHMIXYEASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-11-8-13(20-25-11)4-6-18-17(22)15-9-16(12-2-3-12)21(19-15)14-5-7-26(23,24)10-14/h8-9,12,14H,2-7,10H2,1H3,(H,18,22).

What are the key properties of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide?

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110310800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).