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Chemical ID: 5984966
Chemical ID:
5984966
Name [?]:
2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-pyridylmethyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3F)C(=O)NCc4ccccn4
InChi [?]:
InChI=1/C24H21FN4O/c1-16-10-11-22(17(2)13-16)29-23(24(30)27-15-18-7-5-6-12-26-18)14-21(28-29)19-8-3-4-9-20(19)25/h3-14H,15H2,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,8,16,17,27,28,26,15,18,3,4,29,7,11,24,2,6,25,14,19,12,5,10,21,20,30,23,13,9,22/rA:30nCCCCCCCCNCCCNCCCCCCFCONCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s10;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21FN4O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1147 |
Area: | 579.326 |
Solvation: | -4.36849 |
Coulombic: | -37.2858 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 400.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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