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Chemical ID: 5985237
Chemical ID:
5985237
Name [?]:
5-(4-fluorophenyl)-N-isopentyl-2-(m-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C22H24FN3O/c1-15(2)11-12-24-22(27)21-14-20(17-7-9-18(23)10-8-17)25-26(21)19-6-4-5-16(3)13-19/h4-10,13-15H,11-12H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:26,27,1,4,3,5,14,18,15,17,24,23,7,10,25,2,13,16,6,11,9,20,19,22,12,8,21/E:(1,2)(7,8)(9,10)/rA:27nCCCCCCCNCCCNCCCCCCFCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24FN3O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5294 |
Area: | 603.459 |
Solvation: | -3.5571 |
Coulombic: | -33.2234 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.89 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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