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Chemical ID: 5984868
Chemical ID:
5984868
Name [?]:
2-(m-tolyl)-5-phenyl-N-[2-(1-piperidyl)ethyl]pyrazole-3-carboxamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccccc3)C(=O)NCCN4CCCCC4
InChi [?]:
InChI=1/C24H28N4O/c1-19-9-8-12-21(17-19)28-23(18-22(26-28)20-10-4-2-5-11-20)24(29)25-13-16-27-14-6-3-7-15-27/h2,4-5,8-12,17-18H,3,6-7,13-16H2,1H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,16,27,15,17,26,28,4,3,14,18,5,22,25,29,23,7,10,2,13,6,11,9,19,21,12,24,8,20/E:(4,5)(6,7)(10,11)(14,15)/rA:29nCCCCCCCNCCCNCCCCCCCONCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s9;d19;s19;s21;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N4O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.749 |
Area: | 639.287 |
Solvation: | -3.23317 |
Coulombic: | -34.4387 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.505 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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