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Chemical ID: 7158798
Chemical ID:
7158798
Name [?]:
4-chloro-N-(1,5-dimethylhexyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
CC(C)CCCC(C)NC(=O)c1c(c(nn1C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H21ClF3N3O/c1-8(2)6-5-7-9(3)19-13(22)11-10(15)12(14(16,17)18)20-21(11)4/h8-9H,5-7H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,3,8,17,5,4,6,2,7,13,12,14,10,18,22,19,20,21,9,15,16,11/E:(1,2)(16,17,18)/rA:22cCCCCCCCCNCOCCCNNCCFFFCl/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;d10;s10;d12;s13;d14;s12s15;s16;s14;s18;s18;s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21ClF3N3O |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7394 |
Area: | 526.42 |
Solvation: | -2.42112 |
Coulombic: | -47.2947 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.784 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.85 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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