Chemical ID: 7154463

Cc1cc(nn1C(C)C(=O)N2CCOCC2)C(F)(F)F
Chemical ID:
7154463
Name [?]:
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholino-propan-1-one
SMILES [?]:
Cc1cc(nn1C(C)C(=O)N2CCOCC2)C(F)(F)F
InChi [?]:
InChI=1/C12H16F3N3O2/c1-8-7-10(12(13,14)15)16-18(8)9(2)11(19)17-3-5-20-6-4-17/h7,9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,12,16,13,15,3,2,7,4,9,17,18,19,20,5,11,6,10,14/E:(3,4)(5,6)(13,14,15)/rA:20cCCCCNNCCCONCCOCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s4;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16F3N3O2
All Atoms:36
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:5.92159
Area:443.121
Solvation:-5.15643
Coulombic:-46.7166
Bond Count [?]
All:21
Single:18
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.27
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.12
LogP (Chemaxon):0.98

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