N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide

C24H22F3N3O2 — CID 38148105

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide (PubChem CID 38148105) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide
• PubChem CID: 38148105
• Molecular Formula: C24H22F3N3O2
• Molecular Weight: 441.45 g/mol
• Exact Mass: 441.17
• IUPAC Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide
• SMILES: Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@H]1CCc2ccccc21
• InChI: InChI=1S/C24H22F3N3O2/c1-14-21(15(2)30(28-14)18-9-6-8-17(13-18)24(25,26)27)22(31)23(32)29(3)20-12-11-16-7-4-5-10-19(16)20/h4-10,13,20H,11-12H2,1-3H3/t20-/m0/s1
• InChIKey: HJPZMGZLXIMKTA-FQEVSTJZSA-N
• XLogP: 4.84
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.45
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide?

The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide (CID 38148105) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide.

What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide?

The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide is Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@H]1CCc2ccccc21.

What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide?

The InChIKey is HJPZMGZLXIMKTA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-14-21(15(2)30(28-14)18-9-6-8-17(13-18)24(25,26)27)22(31)23(32)29(3)20-12-11-16-7-4-5-10-19(16)20/h4-10,13,20H,11-12H2,1-3H3/t20-/m0/s1.

What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide?

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide has a molecular weight of 441.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 38148105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).