Chemical ID: 5985109

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NCc4ccccn4
Chemical ID:
5985109
Name [?]:
2-(2,4-dimethylphenyl)-5-(3,4-dimethylphenyl)-N-(2-pyridylmethyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NCc4ccccn4
InChi [?]:
InChI=1/C26H26N4O/c1-17-8-11-24(20(4)13-17)30-25(26(31)28-16-22-7-5-6-12-27-22)15-23(29-30)21-10-9-18(2)19(3)14-21/h5-15H,16H2,1-4H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,21,20,8,28,29,27,3,16,15,4,30,7,19,11,25,2,17,18,6,14,26,12,5,10,22,31,24,13,9,23/rA:31nCCCCCCCCNCCCNCCCCCCCCCONCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s18;s17;s10;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N4O
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.4572
Area:619.813
Solvation:-3.03818
Coulombic:-34.3851
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.511
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.52
LogP (Chemaxon):5.23

Name Annotations

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Descriptor Annotations

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