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Chemical ID: 7157399
Chemical ID:
7157399
Name [?]:
4-chloro-2-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
CC1(CC(CC(N1)(C)C)NC(=O)c2c(c(nn2C)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C15H22ClF3N4O/c1-13(2)6-8(7-14(3,4)22-13)20-12(24)10-9(16)11(15(17,18)19)21-23(10)5/h8,22H,6-7H2,1-5H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,8,9,18,3,5,4,14,13,15,11,2,6,19,23,20,21,22,10,16,7,17,12/E:(1,2,3,4)(6,7)(13,14)(17,18,19)/rA:24nCCCCCCNCCNCOCCCNNCCFFFClC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;s11;d13;s14;d15;s13s16;s17;s15;s19;s19;s19;s14;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClF3N4O |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4873 |
Area: | 532.014 |
Solvation: | -2.8131 |
Coulombic: | -54.4066 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 366.809 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.31 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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