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Chemical ID: 5991681
Chemical ID:
5991681
Name [?]:
N-(2-fluorophenyl)-2-(4-fluorophenyl)-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)F)C(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C21H15F2N3O2/c1-13-6-11-20(28-13)18-12-19(21(27)24-17-5-3-2-4-16(17)23)26(25-18)15-9-7-14(22)8-10-15/h2-12H,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,3,14,16,13,17,4,8,2,15,12,27,22,7,9,5,19,18,28,21,11,10,20,6/E:(7,8)(9,10)/rA:28nCCCCCOCCCNNCCCCCCFCONCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15F2N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.022 |
Area: | 575.868 |
Solvation: | -4.37474 |
Coulombic: | -43.3174 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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