N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide

C27H32FN3O3 — CID 55975800

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 55975800) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
• PubChem CID: 55975800
• Molecular Formula: C27H32FN3O3
• Molecular Weight: 465.57 g/mol
• Exact Mass: 465.24
• IUPAC Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
• SMILES: CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCC2CCCO2)cc1
• InChI: InChI=1S/C27H32FN3O3/c1-31(27(32)20-11-13-24(14-12-20)34-19-25-10-6-16-33-25)15-4-2-3-9-23-18-26(30-29-23)21-7-5-8-22(28)17-21/h5,7-8,11-14,17-18,25H,2-4,6,9-10,15-16,19H2,1H3,(H,29,30)
• InChIKey: LUBDXNUYWDBYMU-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.57
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?

The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide (CID 55975800) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide.

What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?

The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCC2CCCO2)cc1.

What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?

The InChIKey is LUBDXNUYWDBYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-31(27(32)20-11-13-24(14-12-20)34-19-25-10-6-16-33-25)15-4-2-3-9-23-18-26(30-29-23)21-7-5-8-22(28)17-21/h5,7-8,11-14,17-18,25H,2-4,6,9-10,15-16,19H2,1H3,(H,29,30).

What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 465.57 g/mol, XLogP of 5.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 55975800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).