N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide

C25H26FN5O2 — CID 24720405

About N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide

N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide (PubChem CID 24720405) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
• PubChem CID: 24720405
• Molecular Formula: C25H26FN5O2
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.21
• IUPAC Name: N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
• SMILES: Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCc4ccccc4F)c3)n2)o1
• InChI: InChI=1S/C25H26FN5O2/c1-16(2)11-12-21-14-23(25-29-28-17(3)33-25)30-31(21)20-9-6-8-18(13-20)24(32)27-15-19-7-4-5-10-22(19)26/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,27,32)
• InChIKey: OGGDZCAYIMYLPH-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide (CID 24720405) is N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide.

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

The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide is Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCc4ccccc4F)c3)n2)o1.

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

The InChIKey is OGGDZCAYIMYLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-16(2)11-12-21-14-23(25-29-28-17(3)33-25)30-31(21)20-9-6-8-18(13-20)24(32)27-15-19-7-4-5-10-22(19)26/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,27,32).

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

N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide has a molecular weight of 447.51 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 24720405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).