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Chemical ID: 5898578
Chemical ID:
5898578
Name [?]:
2-(2-chlorophenyl)-N-(4-fluorophenyl)-5-(2-furyl)pyrazole-3-carboxamide
SMILES [?]:
c1ccc(c(c1)n2c(cc(n2)c3ccco3)C(=O)Nc4ccc(cc4)F)Cl
InChi [?]:
InChI=1/C20H13ClFN3O2/c21-15-4-1-2-5-17(15)25-18(12-16(24-25)19-6-3-11-27-19)20(26)23-14-9-7-13(22)8-10-14/h1-12H,(H,23,26)
InChi Info:
AuxInfo=1/1/N:2,1,14,3,6,13,22,24,21,25,15,9,23,20,4,10,5,8,12,17,27,26,19,11,7,18,16/E:(7,8)(9,10)/rA:27nCCCCCCNCCCNCCCCOCONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s10;d12;s13;d14;s12s15;s8;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13ClFN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2823 |
Area: | 561.477 |
Solvation: | -3.75464 |
Coulombic: | -40.1031 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 381.787 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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