Chemical ID: 5985118

Cc1cccc(c1)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NCCN4CCOCC4
Chemical ID:
5985118
Name [?]:
5-(3,4-dimethylphenyl)-N-(2-morpholinoethyl)-2-(m-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NCCN4CCOCC4
InChi [?]:
InChI=1/C25H30N4O2/c1-18-5-4-6-22(15-18)29-24(25(30)26-9-10-28-11-13-31-14-12-28)17-23(27-29)21-8-7-19(2)20(3)16-21/h4-8,15-17H,9-14H2,1-3H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,20,19,4,3,5,15,14,24,25,27,31,28,30,7,18,10,2,16,17,13,6,11,9,21,23,12,26,8,22,29/E:(11,12)(13,14)/rA:31nCCCCCCCNCCCNCCCCCCCCCONCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s17;s16;s9;d21;s21;s23;s24;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.3032
Area:677.471
Solvation:-4.63363
Coulombic:-41.4526
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.531
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.2
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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