N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C25H24FN7O2 — CID 55653374

About N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 55653374) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 55653374
• Molecular Formula: C25H24FN7O2
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.20
• IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2nnc(CCC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)o2)cc1
• InChI: InChI=1S/C25H24FN7O2/c1-16-4-6-17(7-5-16)25-31-30-23(35-25)13-12-22(34)29-14-2-3-21-20(15-27)24(28)33(32-21)19-10-8-18(26)9-11-19/h4-11H,2-3,12-14,28H2,1H3,(H,29,34)
• InChIKey: IWDDCQUZIWYAQV-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 135.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 55653374) is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)o2)cc1.

What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The InChIKey is IWDDCQUZIWYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-16-4-6-17(7-5-16)25-31-30-23(35-25)13-12-22(34)29-14-2-3-21-20(15-27)24(28)33(32-21)19-10-8-18(26)9-11-19/h4-11H,2-3,12-14,28H2,1H3,(H,29,34).

What are the key properties of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 473.51 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 55653374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).