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Chemical ID: 7157960
Chemical ID:
7157960
Name [?]:
4-bromo-2-ethyl-N-(2,2,6,6-tetramethyl-4-piperidyl)-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(cn1)Br)C(=O)NC2CC(NC(C2)(C)C)(C)C
InChi [?]:
InChI=1/C15H25BrN4O/c1-6-20-12(11(16)9-17-20)13(21)18-10-7-14(2,3)19-15(4,5)8-10/h9-10,19H,6-8H2,1-5H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,21,2,17,13,6,12,5,4,9,16,14,8,7,11,15,3,10/E:(2,3,4,5)(7,8)(14,15)/rA:21nCCNCCCNBrCONCCCNCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;s4;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;s16;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25BrN4O |
All Atoms: | 46 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4556 |
Area: | 512.131 |
Solvation: | -2.34763 |
Coulombic: | -35.1154 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 357.289 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.07 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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