W7V
Summary
| Name: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide |
| Formula: | C11 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 205.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-~{N}-methyl-~{N}-(1~{H}-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CCC3C1(C(N(C)c2cnnc2)=O)C3 |
| InChI | InChI | 1.03 | InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | KPSCQDHJPNEXSJ-LDYMZIIASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)[C@@]12CCC[C@@H]1C2)c3c[nH]nc3 |
| SMILES | CACTVS | 3.385 | CN(C(=O)[C]12CCC[CH]1C2)c3c[nH]nc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1c[nH]nc1)C(=O)C23CCCC2C3 |
