Chemical ID: 7157460

CCN1CCN(CC1)C(=O)C(C)n2c(c(c(n2)C(F)(F)F)Cl)C
Chemical ID:
7157460
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)-propan-1-one
SMILES [?]:
CCN1CCN(CC1)C(=O)C(C)n2c(c(c(n2)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C14H20ClF3N4O/c1-4-20-5-7-21(8-6-20)13(23)10(3)22-9(2)11(15)12(19-22)14(16,17)18/h10H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,12,2,4,8,5,7,14,11,15,16,9,18,22,19,20,21,17,3,6,13,10/E:(5,6)(7,8)(16,17,18)/rA:23cCCNCCNCCCOCCNCCCNCFFFClC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s11;s13;d14;s15;s13d16;s16;s18;s18;s18;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20ClF3N4O
All Atoms:43
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.99847
Area:515.349
Solvation:-3.88526
Coulombic:-44.3212
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.783
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.12
LogP (Chemaxon):1.99

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