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Chemical ID: 5898113
Chemical ID:
5898113
Name [?]:
5-(2-furyl)-N-(2-morpholinoethyl)-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccco3)C(=O)NCCN4CCOCC4
InChi [?]:
InChI=1/C21H24N4O3/c1-16-4-6-17(7-5-16)25-19(15-18(23-25)20-3-2-12-28-20)21(26)22-8-9-24-10-13-27-14-11-24/h2-7,12,15H,8-11,13-14H2,1H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,15,14,3,7,4,6,21,22,24,28,16,25,27,10,2,5,11,9,13,18,20,12,23,8,19,26,17/E:(4,5)(6,7)(10,11)(13,14)/rA:28nCCCCCCCNCCCNCCCCOCONCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;d13;s14;d15;s13s16;s9;d18;s18;s20;s21;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N4O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5558 |
Area: | 620.663 |
Solvation: | -4.96083 |
Coulombic: | -48.2202 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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