3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

C25H23F2N3O4 — CID 93129853

About 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 93129853) has the molecular formula C25H23F2N3O4 and a molecular weight of 467.47 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
• PubChem CID: 93129853
• Molecular Formula: C25H23F2N3O4
• Molecular Weight: 467.47 g/mol
• Exact Mass: 467.17
• IUPAC Name: 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
• SMILES: COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1)C(=O)c1cccc(F)c1
• InChI: InChI=1S/C25H23F2N3O4/c1-33-13-11-29(25(32)18-4-2-5-20(27)14-18)16-24(31)30-22(23-6-3-12-34-23)15-21(28-30)17-7-9-19(26)10-8-17/h2-10,12,14,22H,11,13,15-16H2,1H3/t22-/m0/s1
• InChIKey: PCJKKQRFQWAACK-QFIPXVFZSA-N
• XLogP: 4.02
• TPSA: 75.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.47
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The IUPAC name of 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (CID 93129853) is 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The canonical SMILES for 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1)C(=O)c1cccc(F)c1.

What is the InChIKey of 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The InChIKey is PCJKKQRFQWAACK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23F2N3O4/c1-33-13-11-29(25(32)18-4-2-5-20(27)14-18)16-24(31)30-22(23-6-3-12-34-23)15-21(28-30)17-7-9-19(26)10-8-17/h2-10,12,14,22H,11,13,15-16H2,1H3/t22-/m0/s1.

What are the key properties of 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 467.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 93129853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).