Chemical ID: 6300199

c1c(n(nc1C(F)(F)F)CC(=O)NN2CCOCC2)C3CC3
Chemical ID:
6300199
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholino-acetamide
SMILES [?]:
c1c(n(nc1C(F)(F)F)CC(=O)NN2CCOCC2)C3CC3
InChi [?]:
InChI=1/C13H17F3N4O2/c14-13(15,16)11-7-10(9-1-2-9)20(17-11)8-12(21)18-19-3-5-22-6-4-19/h7,9H,1-6,8H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:21,22,15,19,16,18,1,10,20,2,5,11,6,7,8,9,4,13,14,3,12,17/E:(1,2)(3,4)(5,6)(14,15,16)/rA:22nCCNNCCFFFCCONNCCOCCCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s2;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17F3N4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.4646
Area:492.467
Solvation:-5.84707
Coulombic:-49.7931
Bond Count [?]
All:24
Single:21
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.44
LogP (Chemaxon):0.43

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