3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide

C23H25N5O2S — CID 46086612

About 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide

3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 46086612) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
• PubChem CID: 46086612
• Molecular Formula: C23H25N5O2S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.17
• IUPAC Name: 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
• SMILES: Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCCc4cccs4)c3)n2)o1
• InChI: InChI=1S/C23H25N5O2S/c1-15(2)12-19-14-21(23-26-25-16(3)30-23)27-28(19)18-7-4-6-17(13-18)22(29)24-10-9-20-8-5-11-31-20/h4-8,11,13-15H,9-10,12H2,1-3H3,(H,24,29)
• InChIKey: MZOJACPSFLVPSJ-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?

The IUPAC name of 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide (CID 46086612) is 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide.

What is the SMILES notation for 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?

The canonical SMILES for 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide is Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCCc4cccs4)c3)n2)o1.

What is the InChIKey of 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?

The InChIKey is MZOJACPSFLVPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15(2)12-19-14-21(23-26-25-16(3)30-23)27-28(19)18-7-4-6-17(13-18)22(29)24-10-9-20-8-5-11-31-20/h4-8,11,13-15H,9-10,12H2,1-3H3,(H,24,29).

What are the key properties of 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?

3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 435.55 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 46086612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).