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Chemical ID: 6422375
Chemical ID:
6422375
Name [?]:
2,5-diphenyl-4-phenylazo-pyrazol-3-amine
SMILES [?]:
c1ccc(cc1)c2c(c(n(n2)c3ccccc3)N)N=Nc4ccccc4
InChi [?]:
InChI=1/C21H17N5/c22-21-20(24-23-17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)25-26(21)18-14-8-3-9-15-18/h1-15H,22H2
InChi Info:
AuxInfo=1/0/N:1,24,15,2,6,23,25,14,16,3,5,22,26,13,17,4,21,12,7,8,9,18,20,19,11,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCCNNCCCCCCNNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9;s8;w19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17N5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0195 |
Area: | 522.271 |
Solvation: | -2.03725 |
Coulombic: | -31.2302 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.393 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.14 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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