4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid

C24H28N4O7 — CID 58066547

About 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid

4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid (PubChem CID 58066547) has the molecular formula C24H28N4O7 and a molecular weight of 484.51 g/mol. Its IUPAC name is 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid
• PubChem CID: 58066547
• Molecular Formula: C24H28N4O7
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.20
• IUPAC Name: 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid
• SMILES: COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)N=NC2)cc1NC(=O)C(N)CCC(=O)O
• InChI: InChI=1S/C24H28N4O7/c1-32-18-7-5-13(9-17(18)27-24(31)16(25)6-8-21(29)30)15-12-26-28-22(15)14-10-19(33-2)23(35-4)20(11-14)34-3/h5,7,9-11,16H,6,8,12,25H2,1-4H3,(H,27,31)(H,29,30)
• InChIKey: VGLTVPOHVWHQDO-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 154.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid?

The IUPAC name of 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid (CID 58066547) is 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid.

What is the SMILES notation for 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid?

The canonical SMILES for 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid is COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)N=NC2)cc1NC(=O)C(N)CCC(=O)O.

What is the InChIKey of 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid?

The InChIKey is VGLTVPOHVWHQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O7/c1-32-18-7-5-13(9-17(18)27-24(31)16(25)6-8-21(29)30)15-12-26-28-22(15)14-10-19(33-2)23(35-4)20(11-14)34-3/h5,7,9-11,16H,6,8,12,25H2,1-4H3,(H,27,31)(H,29,30).

What are the key properties of 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid?

4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid has a molecular weight of 484.51 g/mol, XLogP of 3.19, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid is sourced from PubChem (CID 58066547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).