Chemical ID: 7195758

c1cn(nc1C(=O)[O-])Cn2cc(cn2)Br
Chemical ID:
7195758
Name [?]:
1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxylate
SMILES [?]:
c1cn(nc1C(=O)[O-])Cn2cc(cn2)Br
InChi [?]:
InChI=1/C8H7BrN4O2/c9-6-3-10-13(4-6)5-12-2-1-7(11-12)8(14)15/h1-4H,5H2,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,11,9,12,5,6,15,14,4,3,10,7,8/E:(14,15)/rA:15nCCNNCCOO-CNCCCNBr/rB:d1;s2;s3;s1d4;s5;d6;s6;s3;s9;s10;d11;s12;s10d13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6BrN4O2-
All Atoms:21
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-35.5114
Area:395.058
Solvation:-45.3879
Coulombic:-8.84119
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.063
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.89
LogP (Chemaxon):1.44

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