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Chemical ID: 5987564
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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