W1P
Summary
| Name: | 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Formula: | C10 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 174.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-2-phenyl-4~{H}-pyrazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(c1ccccc1)C(=O)CC(=N2)C |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | InChI | 1.03 | QELUYTUMUWHWMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NN(C(=O)C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC1=NN(C(=O)C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=NN(C(=O)C1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NN(C(=O)C1)c2ccccc2 |
