Chemical ID: 7155329

Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)NC2CCCCCC2
Chemical ID:
7155329
Name [?]:
4-chloro-N-cycloheptyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C13H17ClF3N3O/c1-20-10(9(14)11(19-20)13(15,16)17)12(21)18-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,20,16,21,15,4,3,5,12,7,11,8,9,10,14,6,2,13/E:(2,3)(4,5)(6,7)(15,16,17)/rA:21nCNCCCNCFFFClCONCCCCCCC/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s4;s3;d12;s12;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17ClF3N3O
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.32207
Area:471.892
Solvation:-2.47523
Coulombic:-46.7324
Bond Count [?]
All:22
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.742
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.8
LogP (Chemaxon):2.76

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