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Chemical ID: 5898362
Chemical ID:
5898362
Name [?]:
N-benzyl-2-(2,5-dimethylphenyl)-5-(2-furyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)n2c(cc(n2)c3ccco3)C(=O)NCc4ccccc4)C
InChi [?]:
InChI=1/C23H21N3O2/c1-16-10-11-17(2)20(13-16)26-21(14-19(25-26)22-9-6-12-28-22)23(27)24-15-18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,25,24,26,15,23,27,14,3,4,16,7,10,21,2,5,22,11,6,9,13,18,20,12,8,19,17/E:(4,5)(7,8)/rA:28nCCCCCCCNCCCNCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;d13;s14;d15;s13s16;s9;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8529 |
Area: | 607.613 |
Solvation: | -3.33741 |
Coulombic: | -37.3199 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 371.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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