5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione

C19H19FN6O5S — CID 20910866

About 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione

5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 20910866) has the molecular formula C19H19FN6O5S and a molecular weight of 462.46 g/mol. Its IUPAC name is 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
• PubChem CID: 20910866
• Molecular Formula: C19H19FN6O5S
• Molecular Weight: 462.46 g/mol
• Exact Mass: 462.11
• IUPAC Name: 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
• SMILES: Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1
• InChI: InChI=1S/C19H19FN6O5S/c1-11-16(17(27)22-19(29)21-11)32(30,31)26-8-6-25(7-9-26)18(28)15-10-14(23-24-15)12-2-4-13(20)5-3-12/h2-5,10H,6-9H2,1H3,(H,23,24)(H2,21,22,27,29)
• InChIKey: KWYXNGVTVRARIU-UHFFFAOYSA-N
• XLogP: 0.05
• TPSA: 152.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.46
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione (CID 20910866) is 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1.

What is the InChIKey of 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?

The InChIKey is KWYXNGVTVRARIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O5S/c1-11-16(17(27)22-19(29)21-11)32(30,31)26-8-6-25(7-9-26)18(28)15-10-14(23-24-15)12-2-4-13(20)5-3-12/h2-5,10H,6-9H2,1H3,(H,23,24)(H2,21,22,27,29).

What are the key properties of 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?

5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 462.46 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20910866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).