2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide

C22H20FN5O3 — CID 135955384

About 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide

2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide (PubChem CID 135955384) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
• PubChem CID: 135955384
• Molecular Formula: C22H20FN5O3
• Molecular Weight: 421.43 g/mol
• Exact Mass: 421.16
• IUPAC Name: 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
• SMILES: CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(F)cc2)n1
• InChI: InChI=1S/C22H20FN5O3/c1-13(2)16-12-21(30)26-22(24-16)28-19(11-17(27-28)18-4-3-9-31-18)25-20(29)10-14-5-7-15(23)8-6-14/h3-9,11-13H,10H2,1-2H3,(H,25,29)(H,24,26,30)
• InChIKey: JZSHCRSGQWXQJF-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.43
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide?

The IUPAC name of 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide (CID 135955384) is 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide is CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(F)cc2)n1.

What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide?

The InChIKey is JZSHCRSGQWXQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-13(2)16-12-21(30)26-22(24-16)28-19(11-17(27-28)18-4-3-9-31-18)25-20(29)10-14-5-7-15(23)8-6-14/h3-9,11-13H,10H2,1-2H3,(H,25,29)(H,24,26,30).

What are the key properties of 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide?

2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 421.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 135955384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).