Chemical ID: 7153394

Cc1c(c(nn1C(C)C(=O)NN2CCOCC2)C(F)(F)F)Cl
Chemical ID:
7153394
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholino-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NN2CCOCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C12H16ClF3N4O2/c1-7-9(13)10(12(14,15)16)17-20(7)8(2)11(21)18-19-3-5-22-6-4-19/h8H,3-6H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,8,13,17,14,16,2,7,3,4,9,18,22,19,20,21,5,11,12,6,10,15/E:(3,4)(5,6)(14,15,16)/rA:22cCCCCNNCCCONNCCOCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s12s16;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClF3N4O2
All Atoms:38
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:6.78483
Area:496.504
Solvation:-5.62777
Coulombic:-50.317
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.729
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.29
LogP (Chemaxon):1.12

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Descriptor Annotations

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