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Chemical ID: 4696206
Chemical ID:
4696206
Name [?]:
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILES [?]:
c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(cc3)Cl)C(F)(F)F
InChi [?]:
InChI=1/C17H11ClF3N3O/c18-11-6-8-12(9-7-11)23-16(25)14-10-22-24(15(14)17(19,20)21)13-4-2-1-3-5-13/h1-10H,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,19,16,20,10,18,15,4,9,8,12,22,21,23,24,25,11,14,7,13/E:(2,3)(4,5)(6,7)(8,9)(19,20,21)/rA:25nCCCCCCNCCCNCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s8;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11ClF3N3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40055 |
Area: | 518.874 |
Solvation: | -3.57131 |
Coulombic: | -45.0744 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.737 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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