CHEBI:105855 - N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
ChEBI ID CHEBI:105855
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H17F2N3S
Net Charge 0
Average Mass 333.401
Monoisotopic Mass 333.11113
InChI InChI=1S/C17H17F2N3S/c1-11(6-12-4-5-23-10-12)20-8-13-9-21-22-17(13)15-3-2-14(18)7-16(15)19/h2-5,7,9-11,20H,6,8H2,1H3,(H,21,22)
InChIKey HKNRDWJKYQBZDD-UHFFFAOYSA-N
SMILES CC(CC1=CSC=C1)NCC2=C(NN=C2)C3=C(C=C(C=C3)F)F
ChEBI Ontology
Outgoing N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine (CHEBI:105855) is a pyrazoles (CHEBI:26410)
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine (CHEBI:105855) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-17216 LINCS
View more database links