5-methyl-2-(4-nitrophenyl)-4-((E)-{[(E)-2-(1-piperazinyl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	JmfLT24IIGk
InChI	InChI=1S/C17H22N6O3/c1-13-16(12-19-8-11-21-9-6-18-7-10-21)17(24)22(20-13)14-2-4-15(5-3-14)23(25)26/h2-5,12,18,20H,6-11H2,1H3/b19-12+
InChIKey	QBUIBNYVPQRCQP-XDHOZWIPSA-N Google Search
Mol Weight	358.4 g/mol
Molecular Formula	C17H22N6O3
Exact Mass	358.175339 g/mol

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SpectraBase Spectrum ID	4sHlNuH8IUk
Name	5-methyl-2-(4-nitrophenyl)-4-((E)-{[(E)-2-(1-piperazinyl)ethyl]imino}methyl)-1,2-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/C17H22N6O3/c1-13-16(12-19-8-11-21-9-6-18-7-10-21)17(24)22(20-13)14-2-4-15(5-3-14)23(25)26/h2-5,12,18,20H,6-11H2,1H3/b19-12+
InChIKey	QBUIBNYVPQRCQP-XDHOZWIPSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1245
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/7116149; UBI_ID: UBI-001246
Synonyms	5-methyl-2-(4-nitrophenyl)-4-({[2-(1-piperazinyl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature	308 °C