Chemical ID: 7153472

c1c(cn(n1)CCC(=O)NCCCn2cc(cn2)Br)[N+](=O)[O-]
Chemical ID:
7153472
Name [?]:
N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-nitropyrazol-1-yl)-propanamide
SMILES [?]:
c1c(cn(n1)CCC(=O)NCCCn2cc(cn2)Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H15BrN6O3/c13-10-6-15-17(8-10)4-1-3-14-12(20)2-5-18-9-11(7-16-18)19(21)22/h6-9H,1-5H2,(H,14,20)
InChi Info:
AuxInfo=1/1/N:12,7,11,13,6,17,1,15,3,16,2,8,19,10,18,5,14,4,20,9,21,22/E:(21,22)/CRV:19.5/rA:22nCCCNNCCCONCCCNCCCNBrN+OO-/rB:s1;d2;s3;d1s4;s4;s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;s14d17;s16;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15BrN6O3
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.13509
Area:561.472
Solvation:-8.90172
Coulombic:-39.4979
Bond Count [?]
All:23
Single:17
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.19
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):0.37

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