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Chemical ID: 7155309
Chemical ID:
7155309
Name [?]:
4-chloro-N-cycloheptyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NC2CCCCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C13H17ClF3N3O/c1-20-11(13(15,16)17)9(14)10(19-20)12(21)18-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,11,16,10,4,5,3,7,18,17,19,20,21,9,6,2,8/E:(2,3)(4,5)(6,7)(15,16,17)/rA:21nCNCCCNCONCCCCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s10s15;s4;s3;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17ClF3N3O |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45377 |
Area: | 468.602 |
Solvation: | -2.26127 |
Coulombic: | -47.2009 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.742 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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