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Chemical ID: 5985190
Chemical ID:
5985190
Name [?]:
N-cyclohexyl-2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(cc3)F)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C24H26FN3O/c1-16-8-13-22(17(2)14-16)28-23(24(29)26-20-6-4-3-5-7-20)15-21(27-28)18-9-11-19(25)12-10-18/h8-15,20H,3-7H2,1-2H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,8,27,26,28,25,29,3,15,19,16,18,4,7,11,2,6,14,17,24,12,5,10,21,20,23,13,9,22/E:(4,5)(6,7)(9,10)(11,12)/rA:29nCCCCCCCCNCCCNCCCCCCFCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s17;s10;d21;s21;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26FN3O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9804 |
Area: | 595.615 |
Solvation: | -2.91002 |
Coulombic: | -33.8177 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.09 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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