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Chemical ID: 7155440
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
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Experimental Annotations
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Descriptor Annotations
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