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CAS 1431697-85-6

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1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-, 2,2,2-trifluoroacetate (1:1)

Description:
1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-, 2,2,2-trifluoroacetate (1:1) is a complex organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a carboxamide functional group indicates potential for hydrogen bonding, influencing its solubility and reactivity. The compound features a dichlorobenzoyl moiety, which contributes to its lipophilicity and may enhance its biological activity. The piperidine ring adds to the compound's structural diversity and may affect its pharmacokinetic properties. The trifluoroacetate component suggests that the compound may exhibit unique electronic properties due to the electronegative fluorine atoms, potentially impacting its interaction with biological targets. Overall, this compound may possess significant pharmaceutical relevance, particularly in medicinal chemistry, due to its diverse functional groups and structural characteristics, which could influence its efficacy and safety profiles in therapeutic applications.
Formula:C16H17Cl2N5O2·C2HF3O2
InChI:InChI=1S/C16H17Cl2N5O2.C2HF3O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9;3-2(4,5)1(6)7/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24);(H,6,7)
InChI key:InChIKey=XTOQTRBZWZONHQ-UHFFFAOYSA-N
SMILES:N(C(=O)C1=C(Cl)C=CC=C1Cl)C=2C(C(NC3CCNCC3)=O)=NNC2.C(C(O)=O)(F)(F)F
Synonyms:
  • 1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-, 2,2,2-trifluoroacetate (1:1)
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