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Chemical ID: 7154564
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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