N9H
Summary
| Name: | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE |
| Formula: | C21 H24 F2 N4 O |
| Formal charge: | 0 |
| Formula weight: | 386.438 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide |
| OpenEye OEToolkits | 1.5.0 | (5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4H-pyrazole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCC)N2N=C(c1cc(F)ccc1F)CC2(c3ccccc3)CCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | CCNC(=O)N1N=C(C[C@@]1(CCCN)c2ccccc2)c3cc(F)ccc3F |
| SMILES | CACTVS | 3.341 | CCNC(=O)N1N=C(C[C]1(CCCN)c2ccccc2)c3cc(F)ccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCNC(=O)N1[C@](CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCNC(=O)N1C(CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C21H24F2N4O/c1-2-25-20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(26-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,2,6,11-12,14,24H2,1H3,(H,25,28)/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | OQMVLDZJPRSNOG-NRFANRHFSA-N |
