N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C24H32N6O4 — CID 55606562

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55606562) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
• PubChem CID: 55606562
• Molecular Formula: C24H32N6O4
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.25
• IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
• SMILES: COCCCN(C(=O)c1cnn(-c2ccccc2C)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H32N6O4/c1-15(2)14-29-21(25)20(22(31)27-24(29)33)28(11-8-12-34-5)23(32)18-13-26-30(17(18)4)19-10-7-6-9-16(19)3/h6-7,9-10,13,15H,8,11-12,14,25H2,1-5H3,(H,27,31,33)
• InChIKey: AWWFDRYZVUTWRY-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 128.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?

The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 55606562) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is COCCCN(C(=O)c1cnn(-c2ccccc2C)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.

What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?

The InChIKey is AWWFDRYZVUTWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-15(2)14-29-21(25)20(22(31)27-24(29)33)28(11-8-12-34-5)23(32)18-13-26-30(17(18)4)19-10-7-6-9-16(19)3/h6-7,9-10,13,15H,8,11-12,14,25H2,1-5H3,(H,27,31,33).

What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55606562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).