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Chemical ID: 5981376
Chemical ID:
5981376
Name [?]:
2-(4-chlorophenyl)-N-(4-fluorophenyl)-5-phenyl-pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)c3ccc(cc3)Cl)C(=O)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C22H15ClFN3O/c23-16-6-12-19(13-7-16)27-21(14-20(26-27)15-4-2-1-3-5-15)22(28)25-18-10-8-17(24)9-11-18/h1-14H,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,16,24,26,23,27,13,17,8,4,15,25,22,12,7,9,19,18,28,21,11,10,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:28nCCCCCCCCCNNCCCCCCClCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClFN3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2337 |
Area: | 598.58 |
Solvation: | -3.73077 |
Coulombic: | -33.0609 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.825 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.79 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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