Chemical ID: 7155332

Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)NC2CCCCC2
Chemical ID:
7155332
Name [?]:
4-chloro-N-cyclohexyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)NC2CCCCC2
InChi [?]:
InChI=1/C12H15ClF3N3O/c1-19-9(8(13)10(18-19)12(14,15)16)11(20)17-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,15,4,3,5,12,7,11,8,9,10,14,6,2,13/E:(3,4)(5,6)(14,15,16)/rA:20nCNCCCNCFFFClCONCCCCCC/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s4;s3;d12;s12;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClF3N3O
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.97383
Area:457.638
Solvation:-2.46711
Coulombic:-46.4471
Bond Count [?]
All:21
Single:18
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.715
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.23
LogP (Chemaxon):2.37

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