1135508-22-3
3-(4-ETHYNYL-1H-PYRAZOL-1-YL)-N-METHYL-2-((3,3,3-TRIFLUOROPROPYL)SULFONYL)PROPANAMIDE
Name3-(4-ETHYNYL-1H-PYRAZOL-1-YL)-N-METHYL-2-((3,3,3-TRIFLUOROPROPYL)SULFONYL)PROPANAMIDE
FormulaC12 H14 F3 N3 O3 S
1Identification
【Name】
3-(4-ETHYNYL-1H-PYRAZOL-1-YL)-N-METHYL-2-((3,3,3-TRIFLUOROPROPYL)SULFONYL)PROPANAMIDE
【CAS】
【MDL】
MFCD20226919
【English Synonyms】
【Formula】
C12 H14 F3 N3 O3 S
【MolWeight】
337.321
【Inchi】
InChI=1S/C12H14F3N3O3S/c1-3-9-6-17-18(7-9)8-10(11(19)16-2)22(20,21)5-4-12(13,14)15/h1,6-7,10H,4-5,8H2,2H3,(H,16,19)
【InChIKey】
InChIKey=XMFZRDXKKUITIY-UHFFFAOYSA-N
【SMILES】
CNC(=O)C(Cn1cc(cn1)C#C)S(=O)(=O)CCC(F)(F)F
【MOL File】
3-(4-ETHYNYL-1H-PYRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-ETHYNYL-1H-PYRAZOL-1-YL)-N-METHYL-2-((3,3,3-TRIFLUOROPROPYL)SULFONYL)PROPANAMIDE.cml