Chemical ID: 5898113

Cc1ccc(cc1)n2c(cc(n2)c3ccco3)C(=O)NCCN4CCOCC4
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

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Descriptor Annotations

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