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Chemical ID: 6422378
Chemical ID:
6422378
Name [?]:
4-(4-methoxyphenyl)azo-5-(p-tolyl)-2H-pyrazol-3-amine
SMILES [?]:
Cc1ccc(cc1)c2c(c([nH]n2)N)N=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C17H17N5O/c1-11-3-5-12(6-4-11)15-16(17(18)22-20-15)21-19-13-7-9-14(23-2)10-8-13/h3-10H,1-2H3,(H3,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,4,6,17,21,18,20,2,5,16,19,8,9,10,13,15,12,14,11,22/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCCNNNNNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s9;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N5O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4274 |
Area: | 462.757 |
Solvation: | -3.14153 |
Coulombic: | -40.0629 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.35 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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