SEQ2FUN

BioLiP

PDB CCD ID: 1DV
Number of entries in BioLiP: 2
Chemical formula: C5 H5 F3 N2
InChI: InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKey: DLCHCAYDSKIFIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(n[nH]1)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1nnc(c1)C
CACTVS 3.370Cc1[nH]nc(c1)C(F)(F)F
Name:5-methyl-3-(trifluoromethyl)-1H-pyrazole
ChEMBL: CHEMBL2323846
ZINC: ZINC000004693290
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).