JH7
Summary
| Name: | 1-methyl-5-(phenylamino)-1,2-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 | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-3-phenylazanyl-1~{H}-pyrazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(NC=1N(C)NC(C=1)=O)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O/c1-13-9(7-10(14)12-13)11-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,14) |
| InChIKey | InChI | 1.03 | JAPKWXYUAJYHCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1NC(=O)C=C1Nc2ccccc2 |
| SMILES | CACTVS | 3.385 | CN1NC(=O)C=C1Nc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C(=CC(=O)N1)Nc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C(=CC(=O)N1)Nc2ccccc2 |
