N-{3-[5-(tert-Butyl)-2-methyl-3-furyl]-1-methyl-1H-pyrazol-5-yl}-2-methylbenzamide
4114
Reference
N-{3-[5-(tert-Butyl)-2-methyl-3-furyl]-1-methyl-1H-pyrazol-5-yl}-2-methylbenzamide Structure
Systematic / IUPAC Name: 2-Methyl-N-{1-methyl-3-[2-methyl-5-(2-methyl-2-propanyl)-3-furyl]-1H-pyrazol-5-yl}benzamide
ID: Reference4114
Other Names: N-[3-(5-tert-Butyl-2-methylfuran-3-yl)-1-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
Formula: C21H25N3O2
Spectral Data
N-{3-[5-(tert-Butyl)-2-methyl-3-furyl]-1-methyl-1H-pyrazol-5-yl}-2-methylbenzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 188 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/9/2016 9:52:05 AM |
Identificators
| InChI | InChI=1S/C21H25N3O2/c1-13-9-7-8-10-15(13)20(25)22-19-12-17(23-24(19)6)16-11-18(21(3,4)5)26-14(16)2/h7-12H,1-6H3,(H,22,25) |
| InChI Key | BDEDVJSJPSVUHC-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=CC=C1C(=O)NC2=CC(=NN2C)C3=C(OC(=C3)C(C)(C)C)C |
| CAS | |
| Splash | |
| Other Names | N-[3-(5-tert-Butyl-2-methylfuran-3-yl)-1-methyl-1H-pyrazol-5-yl]-2-methylbenzamide |
In Other Databases
| PubChem | 2742277 |
| ChemSpider | 2023808 |
| ChEMBL | CHEMBL1442887 |