Chemical ID: 7154564

Cn1c(c(c(n1)C(=O)NCCCN2CCCC2=O)Cl)C(F)(F)F
Chemical ID:
7154564
Name [?]:
4-chloro-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NCCCN2CCCC2=O)Cl)C(F)(F)F
InChi [?]:
InChI=1/C13H16ClF3N4O2/c1-20-11(13(15,16)17)9(14)10(19-20)12(23)18-5-3-7-21-6-2-4-8(21)22/h2-7H2,1H3,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,15,11,16,10,14,12,17,4,5,3,7,20,19,21,22,23,9,6,2,13,18,8/E:(15,16,17)/rA:23nCNCCCNCONCCCNCCCCOClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s15;s13s16;d17;s4;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClF3N4O2
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.27765
Area:527.65
Solvation:-3.91359
Coulombic:-60.6061
Bond Count [?]
All:24
Single:20
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.74
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.37
LogP (Chemaxon):0.26

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