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Chemical ID: 5987268
Chemical ID:
5987268
Name [?]:
5-(2-chlorophenyl)-2-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILES [?]:
c1ccc(c(c1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCc4cccc(c4)C(F)(F)F)Cl
InChi [?]:
InChI=1/C24H16ClF4N3O/c25-20-7-2-1-6-19(20)21-13-22(32(31-21)18-10-8-17(26)9-11-18)23(33)30-14-15-4-3-5-16(12-15)24(27,28)29/h1-13H,14H2,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,6,3,14,16,13,17,28,8,22,23,27,15,12,5,4,7,9,19,29,33,18,30,31,32,21,11,10,20/E:(8,9)(10,11)(27,28,29)/rA:33nCCCCCCCCCNNCCCCCCFCONCCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16ClF4N3O |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8435 |
Area: | 658.352 |
Solvation: | -4.61534 |
Coulombic: | -52.2703 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 473.85 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.86 |
LogP (Chemaxon): | 6.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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