Chemical ID: 7212124

Cc1c(c(nn1CC(=O)NN2CC[NH+](CC2)C)C(F)(F)F)Br
Chemical ID:
7212124
Name [?]:
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-acetamide
SMILES [?]:
Cc1c(c(nn1CC(=O)NN2CC[NH+](CC2)C)C(F)(F)F)Br
InChi [?]:
InChI=1/C12H17BrF3N5O/c1-8-10(13)11(12(14,15)16)18-21(8)7-9(22)17-20-5-3-19(2)4-6-20/h3-7H2,1-2H3,(H,17,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,13,15,12,16,7,2,8,3,4,18,22,19,20,21,10,5,14,11,6,9/E:(3,4)(5,6)(14,15,16)/rA:22nCCCCNNCCONNCCN+CCCCFFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18BrF3N5O+
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-23.5749
Area:500.425
Solvation:-36.0855
Coulombic:-10.3941
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:385.204
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.99
LogP (Chemaxon):1.0

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