Chemical ID: 7172663

Cn1cc(cn1)C(=O)Nc2ccc(c(c2)OC)OC(F)F
Chemical ID:
7172663
Name [?]:
N-[4-(difluoromethoxy)-3-methoxy-phenyl]-1-methyl-pyrazole-4-carboxamide
SMILES [?]:
Cn1cc(cn1)C(=O)Nc2ccc(c(c2)OC)OC(F)F
InChi [?]:
InChI=1/C13H13F2N3O3/c1-18-7-8(6-16-18)12(19)17-9-3-4-10(21-13(14)15)11(5-9)20-2/h3-7,13H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,11,12,15,5,3,4,10,13,14,7,19,20,21,6,9,2,8,16,18/E:(14,15)/rA:21nCNCCCNCONCCCCCCOCOCFF/rB:s1;s2;d3;s4;s2d5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13F2N3O3
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.48244
Area:467.977
Solvation:-6.21698
Coulombic:-49.7498
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.258
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.76
LogP (Chemaxon):1.73

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