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Chemical ID: 7155303
Chemical ID:
7155303
Name [?]:
4-chloro-N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NC2CCCCCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H19ClF3N3O/c1-21-12(14(16,17)18)10(15)11(20-21)13(22)19-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,11,17,10,4,5,3,7,19,18,20,21,22,9,6,2,8/E:(3,4)(5,6)(7,8)(16,17,18)/rA:22nCNCCCNCONCCCCCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s15;s10s16;s4;s3;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19ClF3N3O |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84855 |
Area: | 483.767 |
Solvation: | -2.24562 |
Coulombic: | -47.4996 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.768 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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