Chemical ID: 7156936

Cc1c(cnn1CC(=O)NN2CCN(CC2)C)Br
Chemical ID:
7156936
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-N-(4-methylpiperazin-1-yl)-acetamide
SMILES [?]:
Cc1c(cnn1CC(=O)NN2CCN(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)
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:18nCCCCNNCCONNCCNCCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18BrN5O
All Atoms:36
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.00889
Area:459.332
Solvation:-4.4744
Coulombic:-26.2818
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.198
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.15
LogP (Chemaxon):-0.28

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