Chemical ID: 7155309

Cn1c(c(c(n1)C(=O)NC2CCCCCC2)Cl)C(F)(F)F
Chemical ID:
7155309
Name [?]:
4-chloro-N-cycloheptyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NC2CCCCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C13H17ClF3N3O/c1-20-11(13(15,16)17)9(14)10(19-20)12(21)18-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,11,16,10,4,5,3,7,18,17,19,20,21,9,6,2,8/E:(2,3)(4,5)(6,7)(15,16,17)/rA:21nCNCCCNCONCCCCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s10s15;s4;s3;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17ClF3N3O
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.45377
Area:468.602
Solvation:-2.26127
Coulombic:-47.2009
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:3.79
LogP (Chemaxon):2.76

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