Chemical ID: 7169843

Cn1cc(c(n1)C(=O)N)NC(=O)c2c(cccc2F)F
Chemical ID:
7169843
Name [?]:
4-(2,6-difluorobenzoyl)amino-1-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(c(n1)C(=O)N)NC(=O)c2c(cccc2F)F
InChi [?]:
InChI=1/C12H10F2N4O2/c1-18-5-8(10(17-18)11(15)19)16-12(20)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H2,15,19)(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,14,18,4,13,5,7,11,20,19,9,10,6,2,8,12/E:(3,4)(6,7)(13,14)/rA:20nCNCCCNCONNCOCCCCCCFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10F2N4O2
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.96794
Area:443.586
Solvation:-4.12171
Coulombic:-58.7195
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.23
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.45
LogP (Chemaxon):1.36

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