Chemical ID: 7154765

c1c(cn(n1)CCCNC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3)Br
Chemical ID:
7154765
Name [?]:
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-acetamide
SMILES [?]:
c1c(cn(n1)CCCNC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3)Br
InChi [?]:
InChI=1/C15H16BrClF3N5O/c16-10-6-22-24(7-10)5-1-4-21-11(26)8-25-13(9-2-3-9)12(17)14(23-25)15(18,19)20/h6-7,9H,1-5,8H2,(H,21,26)
InChi Info:
AuxInfo=1/1/N:7,24,25,8,6,1,3,12,23,2,10,15,14,16,18,26,22,19,20,21,9,5,17,4,13,11/E:(2,3)(18,19,20)/rA:26nCCCNNCCCNCOCNCCCNCFFFClCCCBr/rB:s1;d2;s3;d1s4;s4;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;s13d16;s16;s18;s18;s18;s15;s14;s23;s23s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16BrClF3N5O
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5911
Area:598.71
Solvation:-4.37668
Coulombic:-47.975
Bond Count [?]
All:28
Single:23
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:454.673
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.06
LogP (Chemaxon):2.41

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