A1AQB
Summary
| Name: | (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Formula: | C10 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 189.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| OpenEye OEToolkits | 2.0.7 | 2-(3-aminophenyl)-5-methyl-4~{H}-pyrazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cccc(c1)N1N=C(C)CC1=O |
| InChI | InChI | 1.06 | InChI=1S/C10H11N3O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3 |
| InChIKey | InChI | 1.06 | LCYJOUXSUHOSCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NN(C(=O)C1)c2cccc(N)c2 |
| SMILES | CACTVS | 3.385 | CC1=NN(C(=O)C1)c2cccc(N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=NN(C(=O)C1)c2cccc(c2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NN(C(=O)C1)c2cccc(c2)N |
