3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide

C24H20F2N6O3 — CID 135138606

About 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide (PubChem CID 135138606) has the molecular formula C24H20F2N6O3 and a molecular weight of 478.46 g/mol. Its IUPAC name is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide
• PubChem CID: 135138606
• Molecular Formula: C24H20F2N6O3
• Molecular Weight: 478.46 g/mol
• Exact Mass: 478.16
• IUPAC Name: 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide
• SMILES: O=C1NC[C@H]([C@@H](Cn2cccn2)NC(=O)c2cccc(F)c2-c2cc(-c3ccc(F)cc3)n[nH]2)O1
• InChI: InChI=1S/C24H20F2N6O3/c25-15-7-5-14(6-8-15)18-11-19(31-30-18)22-16(3-1-4-17(22)26)23(33)29-20(13-32-10-2-9-28-32)21-12-27-24(34)35-21/h1-11,20-21H,12-13H2,(H,27,34)(H,29,33)(H,30,31)/t20-,21-/m1/s1
• InChIKey: LJXPXMBLZUTWKH-NHCUHLMSSA-N
• XLogP: 3.13
• TPSA: 113.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.46
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide?

The IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide (CID 135138606) is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide.

What is the SMILES notation for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide?

The canonical SMILES for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide is O=C1NC[C@H]([C@@H](Cn2cccn2)NC(=O)c2cccc(F)c2-c2cc(-c3ccc(F)cc3)n[nH]2)O1.

What is the InChIKey of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide?

The InChIKey is LJXPXMBLZUTWKH-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H20F2N6O3/c25-15-7-5-14(6-8-15)18-11-19(31-30-18)22-16(3-1-4-17(22)26)23(33)29-20(13-32-10-2-9-28-32)21-12-27-24(34)35-21/h1-11,20-21H,12-13H2,(H,27,34)(H,29,33)(H,30,31)/t20-,21-/m1/s1.

What are the key properties of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide?

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide has a molecular weight of 478.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(1R)-1-[(5R)-2-oxo-1,3-oxazolidin-5-yl]-2-pyrazol-1-ylethyl]benzamide is sourced from PubChem (CID 135138606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).