Chemical ID: 7155440

Cc1c(c(nn1C(C)C(=O)NC2CC(NC(C2)(C)C)(C)C)C(F)(F)F)Cl
Chemical ID:
7155440
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethyl-4-piperidyl)-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC2CC(NC(C2)(C)C)(C)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H26ClF3N4O/c1-9-12(18)13(17(19,20)21)23-25(9)10(2)14(26)22-11-7-15(3,4)24-16(5,6)8-11/h10-11,24H,7-8H2,1-6H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,8,18,19,20,21,17,13,2,7,12,3,4,9,16,14,22,26,23,24,25,11,5,15,6,10/E:(3,4,5,6)(7,8)(15,16)(19,20,21)/rA:26cCCCCNNCCCONCCCNCCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;s16;s14;s14;s4;s22;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26ClF3N4O
All Atoms:52
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7356
Area:576.642
Solvation:-3.68041
Coulombic:-53.265
Bond Count [?]
All:27
Single:24
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.863
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.83
LogP (Chemaxon):2.07

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue