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Chemical ID: 7155332
Chemical ID:
7155332
Name [?]:
4-chloro-N-cyclohexyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)NC2CCCCC2
InChi [?]:
InChI=1/C12H15ClF3N3O/c1-19-9(8(13)10(18-19)12(14,15)16)11(20)17-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,15,4,3,5,12,7,11,8,9,10,14,6,2,13/E:(3,4)(5,6)(14,15,16)/rA:20nCNCCCNCFFFClCONCCCCCC/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s4;s3;d12;s12;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClF3N3O |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97383 |
Area: | 457.638 |
Solvation: | -2.46711 |
Coulombic: | -46.4471 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.715 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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