Chemical ID: 5987564

Cc1cccc(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCCCN4CCOCC4
Chemical ID:
5987564
Name [?]:
5-(2-chlorophenyl)-N-(3-morpholinopropyl)-2-(m-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCCCN4CCOCC4
InChi [?]:
InChI=1/C24H27ClN4O2/c1-18-6-4-7-19(16-18)29-23(17-22(27-29)20-8-2-3-9-21(20)25)24(30)26-10-5-11-28-12-14-31-15-13-28/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,15,16,4,24,3,5,14,17,23,25,27,31,28,30,7,10,2,6,13,18,11,9,20,19,22,12,26,8,21,29/E:(12,13)(14,15)/rA:31nCCCCCCCNCCCNCCCCCCClCONCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s24;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27ClN4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.0676
Area:678.853
Solvation:-4.90369
Coulombic:-41.6479
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.95
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.31
LogP (Chemaxon):3.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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