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Chemical ID: 5898106
Chemical ID:
5898106
Name [?]:
5-(2-furyl)-N-(1-phenylethyl)-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccco3)C(=O)NC(C)c4ccccc4
InChi [?]:
InChI=1/C23H21N3O2/c1-16-10-12-19(13-11-16)26-21(15-20(25-26)22-9-6-14-28-22)23(27)24-17(2)18-7-4-3-5-8-18/h3-15,17H,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,22,26,25,27,15,24,28,14,3,7,4,6,16,10,2,21,23,5,11,9,13,18,20,12,8,19,17/E:(4,5)(7,8)(10,11)(12,13)/rA:28cCCCCCCCNCCCNCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;d13;s14;d15;s13s16;s9;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.877 |
Area: | 607.643 |
Solvation: | -3.31408 |
Coulombic: | -37.6566 |
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: | 4.81 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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