4-(4-Fluorobenzyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
4246
Reference
4-(4-Fluorobenzyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one Structure
Systematic / IUPAC Name: 4-(4-Fluorobenzyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
ID: Reference4246
Other Names: 3H-Pyrazol-3-one, 4-[(4-fluorophenyl)methyl]-2,4-dihydro-5-methyl-
Formula: C11H11FN2O
Spectral Data
4-(4-Fluorobenzyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one 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 | 206 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/16/2016 1:32:08 PM |
Identificators
| InChI | InChI=1S/C11H11FN2O/c1-7-10(11(15)14-13-7)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15) |
| InChI Key | CMQRGDDLJYEVDF-UHFFFAOYSA-N |
| Canonical SMILES | CC1=NNC(=O)C1CC2=CC=C(C=C2)F |
| CAS | |
| Splash | |
| Other Names | 3H-Pyrazol-3-one, 4-[(4-fluorophenyl)methyl]-2,4-dihydro-5-methyl- |
In Other Databases
| PubChem | 2730645 |
| ChEMBL | CHEMBL1378222 |
| ChemSpider | 2012566 |