EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H22N4O |
| Net Charge | 0 |
| Average Mass | 310.401 |
| Monoisotopic Mass | 310.17936 |
| SMILES | C#CCN(C(=O)c1cnn(C(C)C(C)C)c1C)c1cccnc1 |
| InChI | InChI=1S/C18H22N4O/c1-6-10-21(16-8-7-9-19-11-16)18(23)17-12-20-22(15(17)5)14(4)13(2)3/h1,7-9,11-14H,10H2,2-5H3 |
| InChIKey | XVEMIMCGUGJHOV-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methyl-1-(3-methylbutan-2-yl)-N-(prop-2-yn-1-yl)-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide (CHEBI:747164) has role pyridines (CHEBI:26421) |
| 5-methyl-1-(3-methylbutan-2-yl)-N-(prop-2-yn-1-yl)-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide (CHEBI:747164) is a pyrazoles (CHEBI:26410) |
| 5-methyl-1-(3-methylbutan-2-yl)-N-(prop-2-yn-1-yl)-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide (CHEBI:747164) is a terminal acetylenic compound (CHEBI:73477) |
| 5-methyl-1-(3-methylbutan-2-yl)-N-(prop-2-yn-1-yl)-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide (CHEBI:747164) is a tertiary amino compound (CHEBI:50996) |
| 5-methyl-1-(3-methylbutan-2-yl)-N-(prop-2-yn-1-yl)-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide (CHEBI:747164) is a tertiary carboxamide (CHEBI:140326) |
| Incoming Relation(s) |
| (R)-dimpyrargyl (CHEBI:747165) is a 5-methyl-1-(3-methylbutan-2-yl)-N-(prop-2-yn-1-yl)-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide (CHEBI:747164) |
| (S)-dimpyrargyl (CHEBI:747166) is a 5-methyl-1-(3-methylbutan-2-yl)-N-(prop-2-yn-1-yl)-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide (CHEBI:747164) |
| IUPAC Name |
|---|
| 5-methyl-1-(3-methylbutan-2-yl)-N-(prop-2-yn-1-yl)-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide |
| Synonyms | Source |
|---|---|
| 1-(1,2-dimethylpropyl)-5-methyl-N-2-propyn-1-yl-N-3-pyridinyl-1H-pyrazole-4-carboxamide | ChEBI |
| 1-[1,2-dimethylpropyl]-5-methyl-N-prop-2-yn-1-yl-N-pyridin-3-yl-1H-pyrazole-4-carboxamide | ChEBI |