EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83174 - N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide

ChEBI IDCHEBI:83174
ChEBI NameN-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide
Stars
ASCII NameN-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide
DefinitionAn aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 2-[1,1'-bi(cyclopropyl)-2-yl]aniline.
Last Modified30 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H19F2N3O
Net Charge0
Average Mass331.366
Monoisotopic Mass331.14962
SMILESCn1cc(C(=O)Nc2ccccc2C2CC2C2CC2)c(C(F)F)n1
InChIInChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)
InChIKeyXQJQCBDIXRIYRP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174) is a aromatic amide (CHEBI:62733)
N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174) is a cyclopropanes (CHEBI:51454)
N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174) is a organofluorine compound (CHEBI:37143)
N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174) is a pyrazoles (CHEBI:26410)
N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174) is a ring assembly (CHEBI:36820)
Incoming Relation(s)
cis-(1R,2R)-sedaxane (CHEBI:83176) is a N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174)
cis-(1S,2S)-sedaxane (CHEBI:83177) is a N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174)
trans-(1R,2S)-sedaxane (CHEBI:83179) is a N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174)
trans-(1S,2R)-sedaxane (CHEBI:83178) is a N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide (CHEBI:83174)
IUPAC Name 
N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
Manual XrefsDatabases
1665PPDB