Chemical ID: 5111184

Cc1cc(nn1CC(=O)NN2CCN(CC2)C)C(F)(F)F
Chemical ID:
5111184
Name [?]:
N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-acetamide
SMILES [?]:
Cc1cc(nn1CC(=O)NN2CCN(CC2)C)C(F)(F)F
InChi [?]:
InChI=1/C12H18F3N5O/c1-9-7-10(12(13,14)15)16-20(9)8-11(21)17-19-5-3-18(2)4-6-19/h7H,3-6,8H2,1-2H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,17,13,15,12,16,3,7,2,4,8,18,19,20,21,5,10,14,11,6,9/E:(3,4)(5,6)(13,14,15)/rA:21nCCCCNNCCONNCCNCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;s4;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18F3N5O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.93342
Area:477.964
Solvation:-5.01568
Coulombic:-46.0142
Bond Count [?]
All:22
Single:19
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.3
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.27
LogP (Chemaxon):0.21

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Descriptor Annotations

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