Chemical ID: 7158443

CCN(CC)C(=O)C(C)n1c(cc(n1)C(F)(F)F)C
Chemical ID:
7158443
Name [?]:
N,N-diethyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
CCN(CC)C(=O)C(C)n1c(cc(n1)C(F)(F)F)C
InChi [?]:
InChI=1/C12H18F3N3O/c1-5-17(6-2)11(19)9(4)18-8(3)7-10(16-18)12(13,14)15/h7,9H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,19,9,2,4,12,11,8,13,6,15,16,17,18,14,3,10,7/E:(1,2)(5,6)(13,14,15)/rA:19cCCNCCCOCCNCCCNCFFFC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s8;s10;d11;s12;s10d13;s13;s15;s15;s15;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18F3N3O
All Atoms:37
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.47877
Area:442.989
Solvation:-3.59597
Coulombic:-39.5333
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:277.286
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.36
LogP (Chemaxon):2.01

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