1OT
Summary
| Name: | {(R)-amino[4-(1H-pyrazol-1-yl)phenyl]methyl}phosphonic acid |
| Formula: | C10 H12 N3 O3 P |
| Formal charge: | 0 |
| Formula weight: | 253.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {(R)-amino[4-(1H-pyrazol-1-yl)phenyl]methyl}phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(R)-azanyl-(4-pyrazol-1-ylphenyl)methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(c1ccc(cc1)n2nccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12N3O3P/c11-10(17(14,15)16)8-2-4-9(5-3-8)13-7-1-6-12-13/h1-7,10H,11H2,(H2,14,15,16)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | KEKSMECJAGVZSC-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](c1ccc(cc1)n2cccn2)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](c1ccc(cc1)n2cccn2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnn(c1)c2ccc(cc2)C(N)P(=O)(O)O |
