N2Q
Summary
| Name: | (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole |
| Formula: | C8 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 148.162 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole |
| OpenEye OEToolkits | 2.0.7 | 5-(5-methylfuran-2-yl)-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(o1)c1[NH]ncc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | ZIJASYNQNLPMPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(cc1)c2[nH]ncc2 |
| SMILES | CACTVS | 3.385 | Cc1oc(cc1)c2[nH]ncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)c2ccn[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)c2ccn[nH]2 |
