UXD
Summary
| Name: | (1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone |
| Formula: | C8 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 165.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-pyrazol-4-yl(pyrrolidin-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cc(cn1)C(N2CCCC2)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10) |
| InChIKey | InChI | 1.03 | ZCTYYKNBCKBIMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCCC1)c2c[nH]nc2 |
| SMILES | CACTVS | 3.385 | O=C(N1CCCC1)c2c[nH]nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cn[nH]1)C(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cn[nH]1)C(=O)N2CCCC2 |
