5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione

C19H22N4O5 — CID 135970333

About 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione

5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 135970333) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
• PubChem CID: 135970333
• Molecular Formula: C19H22N4O5
• Molecular Weight: 386.41 g/mol
• Exact Mass: 386.16
• IUPAC Name: 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
• SMILES: CCOc1ccc(C2CC(c3c(O)n(C)c(=O)[nH]c3=O)=NN2C(=O)CC)cc1
• InChI: InChI=1S/C19H22N4O5/c1-4-15(24)23-14(11-6-8-12(9-7-11)28-5-2)10-13(21-23)16-17(25)20-19(27)22(3)18(16)26/h6-9,14,26H,4-5,10H2,1-3H3,(H,20,25,27)
• InChIKey: ZZKIPKFQDRHRAX-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 116.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.41
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione?

The IUPAC name of 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione (CID 135970333) is 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione.

What is the SMILES notation for 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione?

The canonical SMILES for 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione is CCOc1ccc(C2CC(c3c(O)n(C)c(=O)[nH]c3=O)=NN2C(=O)CC)cc1.

What is the InChIKey of 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione?

The InChIKey is ZZKIPKFQDRHRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-4-15(24)23-14(11-6-8-12(9-7-11)28-5-2)10-13(21-23)16-17(25)20-19(27)22(3)18(16)26/h6-9,14,26H,4-5,10H2,1-3H3,(H,20,25,27).

What are the key properties of 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione?

5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 386.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 135970333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).