3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)- (CHEM011714)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2016-05-19 03:43:43 UTC | ||||||||
| Update Date | 2026-08-19 00:36:33 UTC | ||||||||
| Accession Number | CHEM011714 | ||||||||
| Identification | |||||||||
| Common Name | 3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)- belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C13H16N4O and an average molecular weight of 244.29 g/mol. | ||||||||
| Contaminant Sources |
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| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H16N4O | ||||||||
| Average Molecular Mass | 244.290 g/mol | ||||||||
| Monoisotopic Mass | 244.132 g/mol | ||||||||
| CAS Registry Number | 30707-77-8 | ||||||||
| IUPAC Name | 2-(4-aminophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C13H16N4O/c14-10-3-5-11(6-4-10)17-13(18)9-12(15-17)16-7-1-2-8-16/h3-6H,1-2,7-9,14H2 | ||||||||
| InChI Key | JRZNCVVXDWABEX-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Benzene and substituted derivatives | ||||||||
| Sub Class | Aniline and substituted anilines | ||||||||
| Direct Parent | Aniline and substituted anilines | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | Not Available | ||||||||
| 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 | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 100660 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
