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Chemical structure of Pyr3

GC14649

Pyr3

Also known as ethyl 1-[4-(2,3,3-trichloroprop-2-enoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

canonical transient receptor potential channel 3 (TRPC3) antagonist

ChemicalCAS1160514-60-2MW456.63FormulaC16H11Cl3F3N3O3
CAS number
1160514-60-2
Molecular weight
456.63
Formula
C16H11Cl3F3N3O3
Solubility
DMF: 50 mg/ml,DMSO: 20 mg/ml,Ethanol: 10 mg/ml
InChIKey
RZHGONNSASQOAY-UHFFFAOYSA-N
Catalogue number
GC14649
Brand
GLPBIO
Computed properties PubChem CID 56964346 · XLogP 4.8 · TPSA 73.2 Ų · H-bond donors 1
XLogP
4.8
TPSA
73.2 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28

SMILES CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C(=C(Cl)Cl)Cl)C(F)(F)F

Computed descriptors from PubChem (CID 56964346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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