5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C20H25N7O4 — CID 55572280

About 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55572280) has the molecular formula C20H25N7O4 and a molecular weight of 427.47 g/mol. Its IUPAC name is 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
• PubChem CID: 55572280
• Molecular Formula: C20H25N7O4
• Molecular Weight: 427.47 g/mol
• Exact Mass: 427.20
• IUPAC Name: 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
• SMILES: CCCCn1c(N)c(N(C)C(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)c(=O)[nH]c1=O
• InChI: InChI=1S/C20H25N7O4/c1-3-4-10-26-16(21)15(18(29)23-20(26)31)25(2)19(30)13-11-14(17(22)28)27(24-13)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11,21H2,1-2H3,(H2,22,28)(H,23,29,31)
• InChIKey: VKUPWGQSCQIXEJ-UHFFFAOYSA-N
• XLogP: 0.00
• TPSA: 159.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.47
LogP ≤ 5	0.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The IUPAC name of 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55572280) is 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

What is the SMILES notation for 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The canonical SMILES for 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is CCCCn1c(N)c(N(C)C(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)c(=O)[nH]c1=O.

What is the InChIKey of 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The InChIKey is VKUPWGQSCQIXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4/c1-3-4-10-26-16(21)15(18(29)23-20(26)31)25(2)19(30)13-11-14(17(22)28)27(24-13)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11,21H2,1-2H3,(H2,22,28)(H,23,29,31).

What are the key properties of 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 427.47 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55572280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).