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Chemical ID: 5986185
Chemical ID:
5986185
Name [?]:
2-(3-chlorophenyl)-N-cyclohexyl-5-(2,4-dimethoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
COc1ccc(c(c1)OC)c2cc(n(n2)c3cccc(c3)Cl)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C24H26ClN3O3/c1-30-19-11-12-20(23(14-19)31-2)21-15-22(24(29)26-17-8-4-3-5-9-17)28(27-21)18-10-6-7-16(25)13-18/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,10,29,28,30,18,19,27,31,17,4,5,21,8,12,20,26,16,3,6,11,13,7,23,22,25,15,14,24,2,9/E:(4,5)(8,9)/rA:31nCOCCCCCCOCCCCNNCCCCCCClCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d11s14;s14;s16;d17;s18;d19;d16s20;s20;s13;d23;s23;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26ClN3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0512 |
Area: | 669.364 |
Solvation: | -5.68289 |
Coulombic: | -42.3781 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 439.934 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.72 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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