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Chemical ID: 7967818
Chemical ID:
7967818
Name [?]:
2-[(4-methoxyphenyl)methyl]-5-methyl-pyrazole-3-carbohydrazide
SMILES [?]:
Cc1cc(n(n1)Cc2ccc(cc2)OC)C(=O)NN
InChi [?]:
InChI=1/C13H16N4O2/c1-9-7-12(13(18)15-14)17(16-9)8-10-3-5-11(19-2)6-4-10/h3-7H,8,14H2,1-2H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,15,9,13,10,12,3,7,2,8,11,4,16,19,18,6,5,17,14/E:(3,4)(5,6)/rA:19nCCCCNNCCCCCCCOCCONN/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s4;d16;s16;s18;/rC:1.8152,.419,-1.2688;.8295,-.4597,-.5426;-.5623,-.3798,-.6285;-1.0388,-1.3777,.2038;.061,-1.9906,.7337;1.1257,-1.4368,.2761;.0307,-3.1121,1.6758;1.4337,-3.4276,2.1264;2.2337,-4.2573,1.3626;3.5201,-4.5484,1.7737;4.0091,-4.0071,2.9538;3.2046,-3.1746,3.7181;1.9207,-2.8824,3.3;5.274,-4.2924,3.3606;5.4789,-3.5963,4.5917;-2.448,-1.7111,.466;-3.3333,-1.0155,.0059;-2.7576,-2.7874,1.2159;-4.0583,-3.0341,1.5523;
Chemical Details
Atom Count
Formula: | C12H14O4 |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.80731 |
Area: | 455.871 |
Solvation: | -4.58947 |
Coulombic: | -39.332 |
Bond Count [?]
All: | 36 |
Single: | 30 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 260.292 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 0.79 |
LogP (Chemaxon): | 0.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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