Chemical ID: 7155641

Cc1c(c(nn1CC(=O)NN2CCOCC2)C(F)(F)F)Cl
Chemical ID:
7155641
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholino-acetamide
SMILES [?]:
Cc1c(c(nn1CC(=O)NN2CCOCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C11H14ClF3N4O2/c1-7-9(12)10(11(13,14)15)17-19(7)6-8(20)16-18-2-4-21-5-3-18/h2-6H2,1H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,7,2,8,3,4,17,21,18,19,20,10,5,11,6,9,14/E:(2,3)(4,5)(13,14,15)/rA:21nCCCCNNCCONNCCOCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;s17;s17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14ClF3N4O2
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.40707
Area:478.88
Solvation:-5.56492
Coulombic:-49.8509
Bond Count [?]
All:22
Single:19
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.703
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.77
LogP (Chemaxon):0.58

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