3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine

C24H26FN5O — CID 56571224

About 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine

3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine (PubChem CID 56571224) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine.

Molecular Properties

• Compound Name: 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine
• PubChem CID: 56571224
• Molecular Formula: C24H26FN5O
• Molecular Weight: 419.50 g/mol
• Exact Mass: 419.21
• IUPAC Name: 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine
• SMILES: CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCCc1nc(-c2ccccc2)no1
• InChI: InChI=1S/C24H26FN5O/c1-30(16-6-10-23-26-24(29-31-23)19-7-3-2-4-8-19)15-5-9-21-17-22(28-27-21)18-11-13-20(25)14-12-18/h2-4,7-8,11-14,17H,5-6,9-10,15-16H2,1H3,(H,27,28)
• InChIKey: CJSFYIQWTSPYRR-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.50
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine?

The IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine (CID 56571224) is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine.

What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine?

The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCCc1nc(-c2ccccc2)no1.

What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine?

The InChIKey is CJSFYIQWTSPYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-30(16-6-10-23-26-24(29-31-23)19-7-3-2-4-8-19)15-5-9-21-17-22(28-27-21)18-11-13-20(25)14-12-18/h2-4,7-8,11-14,17H,5-6,9-10,15-16H2,1H3,(H,27,28).

What are the key properties of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine?

3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine has a molecular weight of 419.50 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine is sourced from PubChem (CID 56571224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).