4-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid

Systematic / IUPAC Name: 3-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)carbamoyl]-2-pyrazinecarboxylic acid

ID: Reference4680

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

Formula: C16H13N5O3

Spectral Data

4-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 4/27/2016 8:06:22 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H13N5O3/c1-21-12(9-11(20-21)10-5-3-2-4-6-10)19-15(22)13-14(16(23)24)18-8-7-17-13/h2-9H,1H3,(H,19,22)(H,23,24)
InChI Key NFRXFVVHLIFKHY-UHFFFAOYSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=NC=CN=C3C(=O)O
CAS
Splash
Other Names 2-Pyrazinecarboxylic acid, 3-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]carbonyl}-

In Other Databases

ChemSpider 21918600
PubChem 42545240