N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide

C₂₆H₁₉FN₄O — CID 15513082

About N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide

N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide (PubChem CID 15513082) has the molecular formula C₂₆H₁₉FN₄O and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide
• PubChem CID: 15513082
• Molecular Formula: C₂₆H₁₉FN₄O
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.15
• IUPAC Name: N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc2ccccc12
• InChI: InChI=1S/C26H19FN4O/c27-19-12-10-18(11-13-19)25-24(21-14-15-28-22-9-5-4-8-20(21)22)26(31-30-25)29-23(32)16-17-6-2-1-3-7-17/h1-15H,16H2,(H2,29,30,31,32)
• InChIKey: DGUUHYKJXJRENW-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide?

The IUPAC name of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide (CID 15513082) is N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide.

What is the SMILES notation for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide?

The canonical SMILES for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc2ccccc12.

What is the InChIKey of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide?

The InChIKey is DGUUHYKJXJRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O/c27-19-12-10-18(11-13-19)25-24(21-14-15-28-22-9-5-4-8-20(21)22)26(31-30-25)29-23(32)16-17-6-2-1-3-7-17/h1-15H,16H2,(H2,29,30,31,32).

What are the key properties of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide?

N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 422.46 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 15513082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15513082 — identifiers, structure, computed properties (public domain)

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