Chemical ID: 7154719

Cc1c(c(nn1CC(=O)NN2CCOCC2)C(F)F)Cl
Chemical ID:
7154719
Name [?]:
2-[4-chloro-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-morpholino-acetamide
SMILES [?]:
Cc1c(c(nn1CC(=O)NN2CCOCC2)C(F)F)Cl
InChi [?]:
InChI=1/C11H15ClF2N4O2/c1-7-9(12)10(11(13)14)16-18(7)6-8(19)15-17-2-4-20-5-3-17/h11H,2-6H2,1H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,7,2,8,3,4,17,20,18,19,10,5,11,6,9,14/E:(2,3)(4,5)(13,14)/rA:20nCCCCNNCCONNCCOCCCFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;s17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15ClF2N4O2
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.04009
Area:472.787
Solvation:-6.7796
Coulombic:-40.0629
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.712
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.45
LogP (Chemaxon):-0.24

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