Molecule card · MolClass #2387
2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,…: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidineCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2387
- InChIKey
- ZUPGHKKHKOINAJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccccc1)N2CCN(CC2)C(=O)c3cc4nc(cc(n4(n3))C(F)(F)F)c5ccccc5
- Standard InChI
- InChI=1S/C25H20F3N5O2/c26-25(27,28)21-15-19(17-7-3-1-4-8-17)29-22-16-20(30-33(21)22)24(35)32-13-11-31(12-14-32)23(34)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
- Stored Murcko scaffold
- n1c(ccn2nc(cc12)[CH]N3CCN([CH]c4ccccc4)CC3)-c5ccccc5
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 479.455 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.196
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Compound accumulation in C. elegans
Dataset #4 · 18.089520929574