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Chemical ID: 7212062
Chemical ID:
7212062
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-N-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-acetamide
SMILES [?]:
Cc1c(cnn1CC(=O)NN2CC[NH+](CC2)C)Br
InChi [?]:
InChI=1/C11H18BrN5O/c1-9-10(12)7-13-17(9)8-11(18)14-16-5-3-15(2)4-6-16/h7H,3-6,8H2,1-2H3,(H,14,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,13,15,12,16,4,7,2,3,8,18,5,10,14,11,6,9/E:(3,4)(5,6)/rA:18nCCCCNNCCONNCCN+CCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19BrN5O+ |
All Atoms: | 37 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.7434 |
Area: | 459.97 |
Solvation: | -35.2426 |
Coulombic: | 8.94473 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.206 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.15 |
LogP (Chemaxon): | -0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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