3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide

C26H28N4O3 — CID 56507565

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide (PubChem CID 56507565) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
• PubChem CID: 56507565
• Molecular Formula: C26H28N4O3
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.22
• IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
• SMILES: Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
• InChI: InChI=1S/C26H28N4O3/c1-16(2)15-29-18(4)21(17(3)28-29)12-13-24(31)27-19-8-7-9-20(14-19)30-25(32)22-10-5-6-11-23(22)26(30)33/h5-11,14,16H,12-13,15H2,1-4H3,(H,27,31)
• InChIKey: OCZCIOHFTCLAHP-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide?

The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide (CID 56507565) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide.

What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide?

The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.

What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide?

The InChIKey is OCZCIOHFTCLAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16(2)15-29-18(4)21(17(3)28-29)12-13-24(31)27-19-8-7-9-20(14-19)30-25(32)22-10-5-6-11-23(22)26(30)33/h5-11,14,16H,12-13,15H2,1-4H3,(H,27,31).

What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide?

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide has a molecular weight of 444.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide is sourced from PubChem (CID 56507565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).