BQ5
Summary
| Name: | (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine |
| Formula: | C13 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 213.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2 |
| InChIKey | InChI | 1.03 | AITOIMRCVCWDAG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1nn(c2ccccc2)c3CCCc13 |
| SMILES | CACTVS | 3.385 | NCc1nn(c2ccccc2)c3CCCc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)n2c3c(c(n2)CN)CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)n2c3c(c(n2)CN)CCC3 |
