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Chemical ID: 7968118
Chemical ID:
7968118
Name [?]:
5-phenyl-1-(p-tolylmethyl)pyrazole-3-carbohydrazide
SMILES [?]:
Cc1ccc(cc1)Cn2c(cc(n2)C(=O)NN)c3ccccc3
InChi [?]:
InChI=1/C18H18N4O/c1-13-7-9-14(10-8-13)12-22-17(15-5-3-2-4-6-15)11-16(21-22)18(23)20-19/h2-11H,12,19H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,3,7,4,6,11,8,2,5,18,12,10,14,17,16,13,9,15/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCNCCCNCONNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s9d12;s12;d14;s14;s16;s10;s18;d19;s20;d21;d18s22;/rC:-2.0932,-5.606,5.2344;-1.5457,-5.3314,3.8575;-1.2383,-4.0372,3.4814;-.7361,-3.7853,2.2184;-.5408,-4.8276,1.3316;-.8473,-6.1219,1.7081;-1.3455,-6.3743,2.9726;.0059,-4.5529,-.0456;1.4572,-4.7524,-.0437;2.2494,-4.7449,-1.1537;3.5292,-4.9649,-.7273;3.4404,-5.0994,.6752;2.1719,-4.9548,1.0042;4.5622,-5.3509,1.6032;5.6938,-5.4617,1.173;4.331,-5.4576,2.9267;5.3681,-5.6901,3.7847;1.8082,-4.5383,-2.5513;.5554,-3.9848,-2.8155;.1498,-3.7947,-4.1206;.9827,-4.1518,-5.1659;2.2261,-4.7017,-4.9102;2.6457,-4.891,-3.6095;
Chemical Details
Atom Count
Formula: | C12H17N3O2 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0901 |
Area: | 523.119 |
Solvation: | -2.9879 |
Coulombic: | -36.1768 |
Bond Count [?]
All: | 43 |
Single: | 34 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 306.362 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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