Chemical ID: 6307904

Cn1cc(cn1)C(=O)Nc2ccc(cc2)C(F)(F)F
Chemical ID:
6307904
Name [?]:
1-methyl-N-[4-(trifluoromethyl)phenyl]-pyrazole-4-carboxamide
SMILES [?]:
Cn1cc(cn1)C(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C12H10F3N3O/c1-18-7-8(6-16-18)11(19)17-10-4-2-9(3-5-10)12(13,14)15/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,14,11,15,5,3,4,13,10,7,16,17,18,19,6,9,2,8/E:(2,3)(4,5)(13,14,15)/rA:19nCNCCCNCONCCCCCCCFFF/rB:s1;s2;d3;s4;s2d5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10F3N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.23474
Area:428.715
Solvation:-3.48313
Coulombic:-42.8771
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.223
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.41
LogP (Chemaxon):2.26

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