Chemical ID: 7153211

Cn1c(c(c(n1)C(=O)NC2CCCC2)Cl)C(F)(F)F
Chemical ID:
7153211
Name [?]:
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NC2CCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C11H13ClF3N3O/c1-18-9(11(13,14)15)7(12)8(17-18)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,10,4,5,3,7,16,15,17,18,19,9,6,2,8/E:(2,3)(4,5)(13,14,15)/rA:19nCNCCCNCONCCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s10s13;s4;s3;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13ClF3N3O
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.69754
Area:437.704
Solvation:-2.24505
Coulombic:-46.585
Bond Count [?]
All:20
Single:17
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.688
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.65
LogP (Chemaxon):1.97

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