[1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl](4-thieno[3,2-d]pyrimidin-4-ylpiperazino)methanone

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Systematic / IUPAC Name: [1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl][4-(thieno[3,2-d]pyrimidin-4-yl)-1-piperazinyl]methanone

ID: Reference6463

Other Names: 1-{[1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-{thieno[3,2-d]pyrimidin-4-yl}piperazine;
Methanone, [1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl][4-(thieno[3,2-d]pyrimidin-4-yl)-1-piperazinyl]-

Formula: C21H16ClF3N6OS

Spectral Data

[1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl](4-thieno[3,2-d]pyrimidin-4-ylpiperazino)methanone 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 3/13/2017 7:46:29 AM
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Identificators

InChI InChI=1S/C21H16ClF3N6OS/c22-13-1-3-14(4-2-13)31-18(21(23,24)25)15(11-28-31)20(32)30-8-6-29(7-9-30)19-17-16(5-10-33-17)26-12-27-19/h1-5,10-12H,6-9H2
InChI Key ZLXNHWLZICQZPT-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN1C2=NC=NC3=C2SC=C3)C(=O)C4=C(N(N=C4)C5=CC=C(C=C5)Cl)C(F)(F)F
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Other Names 1-{[1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-{thieno[3,2-d]pyrimidin-4-yl}piperazine;
Methanone, [1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl][4-(thieno[3,2-d]pyrimidin-4-yl)-1-piperazinyl]-

In Other Databases

PubChem 2809477
ChEMBL CHEMBL3187271
ChemSpider 2087899