913
Summary
| Name: | (3-PYRAZOL-1-YLPHENYL)METHANAMINE |
| Synonyms: | FRAGMENT CC32913 |
| Formula: | C10 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 173.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(1H-pyrazol-1-yl)phenyl]methanamine |
| OpenEye OEToolkits | 1.9.2 | (3-pyrazol-1-ylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cccn1c2cccc(c2)CN |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2 |
| InChIKey | InChI | 1.03 | YWZKZHCZKIKAAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(c1)n2cccn2 |
| SMILES | CACTVS | 3.385 | NCc1cccc(c1)n2cccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)n2cccn2)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)n2cccn2)CN |
