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

C28H29FN4O2 — CID 55976835

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

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55976835) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
• PubChem CID: 55976835
• Molecular Formula: C28H29FN4O2
• Molecular Weight: 472.56 g/mol
• Exact Mass: 472.23
• IUPAC Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
• SMILES: CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc(OCc2cccnc2)c1
• InChI: InChI=1S/C28H29FN4O2/c1-33(28(34)23-10-6-13-26(17-23)35-20-21-8-7-14-30-19-21)15-4-2-3-12-25-18-27(32-31-25)22-9-5-11-24(29)16-22/h5-11,13-14,16-19H,2-4,12,15,20H2,1H3,(H,31,32)
• InChIKey: YSYYQQQDBLMGBH-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.56
LogP ≤ 5	5.67
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-3-(pyridin-3-ylmethoxy)benzamide?

The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide (CID 55976835) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide.

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

The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc(OCc2cccnc2)c1.

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

The InChIKey is YSYYQQQDBLMGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-33(28(34)23-10-6-13-26(17-23)35-20-21-8-7-14-30-19-21)15-4-2-3-12-25-18-27(32-31-25)22-9-5-11-24(29)16-22/h5-11,13-14,16-19H,2-4,12,15,20H2,1H3,(H,31,32).

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

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 472.56 g/mol, XLogP of 5.67, 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-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55976835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).