Chemical ID: 5981329

c1ccc(cc1)c2cc(n(n2)c3ccccc3)C(=O)NCc4ccccn4
Chemical ID:
5981329
Name [?]:
2,5-diphenyl-N-(2-pyridylmethyl)pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)c3ccccc3)C(=O)NCc4ccccn4
InChi [?]:
InChI=1/C22H18N4O/c27-22(24-16-18-11-7-8-14-23-18)21-15-20(17-9-3-1-4-10-17)25-26(21)19-12-5-2-6-13-19/h1-15H,16H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,15,2,6,14,16,24,25,3,5,23,13,17,26,8,21,4,22,12,7,9,18,27,20,11,10,19/E:(3,4)(5,6)(9,10)(12,13)/rA:27nCCCCCCCCCNNCCCCCCCONCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N4O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2066
Area:586.123
Solvation:-3.44643
Coulombic:-34.6163
Bond Count [?]
All:30
Single:18
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.405
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.99
LogP (Chemaxon):3.36

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Descriptor Annotations

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