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Chemical ID: 5981329
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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