Chemical ID: 5987390

Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCCN4CCCCC4)C
Chemical ID:
5987390
Name [?]:
5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)-N-[2-(1-piperidyl)ethyl]pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCCN4CCCCC4)C
InChi [?]:
InChI=1/C25H29ClN4O/c1-18-10-11-19(2)23(16-18)30-24(17-22(28-30)20-8-4-5-9-21(20)26)25(31)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,31,28,15,16,27,29,14,17,3,4,23,26,30,24,7,10,2,5,13,18,11,6,9,20,19,22,12,25,8,21/E:(6,7)(13,14)/rA:31nCCCCCCCNCCCNCCCCCCClCONCCNCCCCCC/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;s25s29;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29ClN4O
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.388
Area:646.044
Solvation:-2.76314
Coulombic:-34.9685
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:436.977
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.44
LogP (Chemaxon):4.9

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Descriptor Annotations

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