K3Y
Summary
| Name: | 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide |
| Formula: | C10 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 208.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 1-methyl-3-[(3~{R})-piperidin-3-yl]pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)c2c(C1CCCNC1)nn(C)c2 |
| InChI | InChI | 1.03 | InChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | PVGLDQISVNLVSL-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C(N)=O)c(n1)[C@@H]2CCCNC2 |
| SMILES | CACTVS | 3.385 | Cn1cc(C(N)=O)c(n1)[CH]2CCCNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)[C@@H]2CCCNC2)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)C2CCCNC2)C(=O)N |
