ChemicalBook--->CAS DataBase List--->1380716-06-2

1380716-06-2

1380716-06-2 Structure

1380716-06-2 Structure
IdentificationBack Directory
[Name]

ML198
[CAS]

1380716-06-2
[Synonyms]

ML198
[Molecular Formula]

C17H14N4O
[MDL Number]

MFCD23134328
[MOL File]

1380716-06-2.mol
[Molecular Weight]

290.32
Chemical PropertiesBack Directory
[density ]

1.20±0.1 g/cm3(Predicted)
[solubility ]

DMSO : 5 mg/mL (17.22 mM; ultrasonic and warming and adjust pH to 2 with HCl and heat to 60°C)
[form ]

Solid
[pka]

11.49±0.70(Predicted)
[color ]

Light yellow to yellow
[InChI]

InChI=1S/C17H14N4O/c1-4-13-5-7-14(8-6-13)20-17(22)15-10-18-21-12(3)9-11(2)19-16(15)21/h1,5-10H,2-3H3,(H,20,22)
[InChIKey]

HVZPJBKUFRREQC-UHFFFAOYSA-N
[SMILES]

C12=C(C(NC3=CC=C(C#C)C=C3)=O)C=NN1C(C)=CC(C)=N2
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302-H315
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Uses]

N-(4-Ethynylphenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide is derived from 5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic Acid (D478938), which is used as a reactant in the synthetic preparation of noninhibitory small molecule chaperones of glucocerebrosidase.
Spectrum DetailBack Directory
[Spectrum Detail]

ML198(1380716-06-2)1HNMR
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