Chemical ID: 7158798

CC(C)CCCC(C)NC(=O)c1c(c(nn1C)C(F)(F)F)Cl
Chemical ID:
7158798
Name [?]:
4-chloro-N-(1,5-dimethylhexyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
CC(C)CCCC(C)NC(=O)c1c(c(nn1C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H21ClF3N3O/c1-8(2)6-5-7-9(3)19-13(22)11-10(15)12(14(16,17)18)20-21(11)4/h8-9H,5-7H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,3,8,17,5,4,6,2,7,13,12,14,10,18,22,19,20,21,9,15,16,11/E:(1,2)(16,17,18)/rA:22cCCCCCCCCNCOCCCNNCCFFFCl/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;d10;s10;d12;s13;d14;s12s15;s16;s14;s18;s18;s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21ClF3N3O
All Atoms:43
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.7394
Area:526.42
Solvation:-2.42112
Coulombic:-47.2947
Bond Count [?]
All:22
Single:19
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.784
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.85
LogP (Chemaxon):3.53

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