PDB CCD ID: | BT7 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C10 H16 F2 N2 O |
InChI: | InChI=1S/C10H16F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8-10,15H,3-4H2,1-2H3/t9-/m0/s1 |
InChIKey: | LKTXIVWHOJXFEW-VIFPVBQESA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | CCC(CC)n1cc(cn1)[CH](O)C(F)F | CACTVS 3.385 | CCC(CC)n1cc(cn1)[C@H](O)C(F)F | OpenEye OEToolkits 2.0.6 | CCC(CC)n1cc(cn1)C(C(F)F)O | OpenEye OEToolkits 2.0.6 | CCC(CC)n1cc(cn1)[C@@H](C(F)F)O | ACDLabs 12.01 | n1n(C(CC)CC)cc(C(C(F)F)O)c1 |
|
Name: | (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol |