8T4
Summary
| Name: | 1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole |
| Formula: | C14 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 223.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole |
| OpenEye OEToolkits | 2.0.6 | 1-methyl-4-phenyl-5-pyrrol-1-yl-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn3c(n1cccc1)c(c2ccccc2)cn3 |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3/c1-16-14(17-9-5-6-10-17)13(11-15-16)12-7-3-2-4-8-12/h2-11H,1H3 |
| InChIKey | InChI | 1.03 | LIJCBBWNYLIMMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(c2ccccc2)c1n3cccc3 |
| SMILES | CACTVS | 3.385 | Cn1ncc(c2ccccc2)c1n3cccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(c(cn1)c2ccccc2)n3cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(c(cn1)c2ccccc2)n3cccc3 |
