Chemical ID: 5985190

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(cc3)F)C(=O)NC4CCCCC4
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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Descriptor Annotations

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