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(4Z)-4-{[(5-chloro-2-pyridinyl)amino]methylene}-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID CSy4nC3wCgE
InChI InChI=1S/C16H12ClFN4O/c1-10-14(9-20-15-7-2-11(17)8-19-15)16(23)22(21-10)13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,20)/b14-9-
InChIKey XLQBFYGUFASCNG-ZROIWOOFSA-N
Mol Weight 330.75 g/mol
Molecular Formula C16H12ClFN4O
Exact Mass 330.068367 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KVMg6B47sEP
Name (4Z)-4-{[(5-chloro-2-pyridinyl)amino]methylene}-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H12ClFN4O/c1-10-14(9-20-15-7-2-11(17)8-19-15)16(23)22(21-10)13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,20)/b14-9-
InChIKey XLQBFYGUFASCNG-ZROIWOOFSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16515
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8127807; UBI_ID: UBI-016518
Synonyms 4-{[(5-chloro-2-pyridinyl)amino]methylene}-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 313 °C