Chemical ID: 5984868

Cc1cccc(c1)n2c(cc(n2)c3ccccc3)C(=O)NCCN4CCCCC4
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

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Descriptor Annotations

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