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Chemical ID: 5898644
Chemical ID:
5898644
Name [?]:
2-(2,4-dimethylphenyl)-N-(2-fluorophenyl)-5-(2-furyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccco3)C(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C22H18FN3O2/c1-14-9-10-19(15(2)12-14)26-20(13-18(25-26)21-8-5-11-28-21)22(27)24-17-7-4-3-6-16(17)23/h3-13H,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,16,26,23,15,3,4,17,7,11,2,6,27,22,12,5,10,14,19,28,21,13,9,20,18/rA:28nCCCCCCCCNCCCNCCCCOCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;d14;s15;d16;s14s17;s10;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18FN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.726 |
Area: | 558.956 |
Solvation: | -3.24791 |
Coulombic: | -40.985 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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