For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 4EI9FV0xZ0i
InChI InChI=1S/C21H22F3N5/c1-3-28(4-2)16-12-10-15(11-13-16)20(21(22,23)24)18(14-25)19(26)29(27-20)17-8-6-5-7-9-17/h5-13,27H,3-4,26H2,1-2H3
InChIKey OTHMTHMLWGZJCQ-UHFFFAOYSA-N
Mol Weight 401.44 g/mol
Molecular Formula C21H22F3N5
Exact Mass 401.18273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JrxlHpBgWSK
Name 3-Amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22F3N5
InChI InChI=1S/C21H22F3N5/c1-3-28(4-2)16-12-10-15(11-13-16)20(21(22,23)24)18(14-25)19(26)29(27-20)17-8-6-5-7-9-17/h5-13,27H,3-4,26H2,1-2H3
InChIKey OTHMTHMLWGZJCQ-UHFFFAOYSA-N
Molecular Weight 401.437 g/mol
SMILES NC=1N(NC(C1C#N)(C(F)(F)F)c1ccc(cc1)N(CC)CC)c1ccccc1
SPLASH splash10-001i-3429100000-9faa0c7f26704fec4975
Synonyms 3-Azanyl-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile 5-Amino-3-[4-(diethylamino)phenyl]-1-phenyl-3-(trifluoromethyl)-3-pyrazoline-4-carbonitrile
Wiley ID 1464065