1-{4-[5-(4-Chlorophenyl)-4-(pyrimidin-4-yl)-1h-pyrazol-3-yl]piperidin-1-yl}-2-hydroxyethan-1-one (CHEM101264)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 12:15:48 UTC | ||||||||
| Update Date | 2026-05-14 18:49:56 UTC | ||||||||
| Accession Number | CHEM101264 | ||||||||
| Identification | |||||||||
| Common Name | 1-{4-[5-(4-Chlorophenyl)-4-(pyrimidin-4-yl)-1h-pyrazol-3-yl]piperidin-1-yl}-2-hydroxyethan-1-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H20ClN5O2 | ||||||||
| Average Molecular Mass | 397.860 g/mol | ||||||||
| Monoisotopic Mass | 397.131 g/mol | ||||||||
| CAS Registry Number | 271576-80-8 | ||||||||
| IUPAC Name | 1-{4-[5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-3-yl]piperidin-1-yl}-2-hydroxyethan-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OCC(=O)N1CCC(CC1)C1=C(C(=NN1)C1=CC=C(Cl)C=C1)C1=NC=NC=C1 | ||||||||
| InChI Identifier | InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25) | ||||||||
| InChI Key | CATQHDWESBRRQA-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
