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Chemical ID: 6306158
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
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Experimental Annotations
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Descriptor Annotations
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