3-{[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonyl}-2-pyrazinecarboxylic acid

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Systematic / IUPAC Name: 3-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-2-pyrazinecarboxylic acid

ID: Reference6711

Other Names: 2-Pyrazinecarboxylic acid, 3-{[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]carbonyl}-

Formula: C17H15N5O4

Spectral Data

3-{[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonyl}-2-pyrazinecarboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/14/2017 7:28:06 AM
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Identificators

InChI InChI=1S/C17H15N5O4/c1-10-12(16(24)22(21(10)2)11-6-4-3-5-7-11)20-15(23)13-14(17(25)26)19-9-8-18-13/h3-9H,1-2H3,(H,20,23)(H,25,26)
InChI Key KJRFLZXKGZXAHW-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NC=CN=C3C(=O)O
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Other Names 2-Pyrazinecarboxylic acid, 3-{[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]carbonyl}-

In Other Databases

PubChem 2812670
ChemSpider 2091074