1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide

C16H24N6O3S — CID 46979905

About 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide (PubChem CID 46979905) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
• PubChem CID: 46979905
• Molecular Formula: C16H24N6O3S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.16
• IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
• SMILES: CCCn1cnc(NC(=O)c2cc(C(C)C)n(C3CCS(=O)(=O)C3)n2)n1
• InChI: InChI=1S/C16H24N6O3S/c1-4-6-21-10-17-16(20-21)18-15(23)13-8-14(11(2)3)22(19-13)12-5-7-26(24,25)9-12/h8,10-12H,4-7,9H2,1-3H3,(H,18,20,23)
• InChIKey: KDNMHANNFYCOHO-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 111.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?

The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide (CID 46979905) is 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide.

What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?

The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide is CCCn1cnc(NC(=O)c2cc(C(C)C)n(C3CCS(=O)(=O)C3)n2)n1.

What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?

The InChIKey is KDNMHANNFYCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-4-6-21-10-17-16(20-21)18-15(23)13-8-14(11(2)3)22(19-13)12-5-7-26(24,25)9-12/h8,10-12H,4-7,9H2,1-3H3,(H,18,20,23).

What are the key properties of 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?

1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 46979905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).