3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide

C22H20N6O2 — CID 46086418

About 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide

3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 46086418) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 46086418
• Molecular Formula: C22H20N6O2
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.16
• IUPAC Name: 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
• SMILES: Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCc4ccccn4)c3)n2)o1
• InChI: InChI=1S/C22H20N6O2/c1-14-25-26-22(30-14)19-12-20(15-8-9-15)28(27-19)18-7-4-5-16(11-18)21(29)24-13-17-6-2-3-10-23-17/h2-7,10-12,15H,8-9,13H2,1H3,(H,24,29)
• InChIKey: POWLYFWATVMEFR-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide (CID 46086418) is 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide.

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

The canonical SMILES for 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide is Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCc4ccccn4)c3)n2)o1.

What is the InChIKey of 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is POWLYFWATVMEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14-25-26-22(30-14)19-12-20(15-8-9-15)28(27-19)18-7-4-5-16(11-18)21(29)24-13-17-6-2-3-10-23-17/h2-7,10-12,15H,8-9,13H2,1H3,(H,24,29).

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

3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 400.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 46086418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).