Chemical ID: 6306158

Cc1c(c(n(n1)C)C)C(=O)Nc2ccccc2C(F)(F)F
Chemical ID:
6306158
Name [?]:
1,3,5-trimethyl-N-[2-(trifluoromethyl)phenyl]-pyrazole-4-carboxamide
SMILES [?]:
Cc1c(c(n(n1)C)C)C(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C14H14F3N3O/c1-8-12(9(2)20(3)19-8)13(21)18-11-7-5-4-6-10(11)14(15,16)17/h4-7H,1-3H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,8,7,15,14,16,13,2,4,17,12,3,9,18,19,20,21,11,6,5,10/E:(15,16,17)/rA:21nCCCCNNCCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14F3N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.43586
Area:453.992
Solvation:-2.91393
Coulombic:-43.656
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:297.276
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.79
LogP (Chemaxon):2.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue