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Chemical ID: 5991738
Chemical ID:
5991738
Name [?]:
2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-N-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc(nn2c3ccc(cc3)OC)c4ccc(o4)C
InChi [?]:
InChI=1/C23H21N3O3/c1-15-4-7-17(8-5-15)24-23(27)21-14-20(22-13-6-16(2)29-22)25-26(21)18-9-11-19(28-3)12-10-18/h4-14H,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,23,3,7,26,4,6,17,21,18,20,25,12,2,27,5,16,19,13,11,24,9,8,14,15,10,22,28/E:(4,5)(7,8)(9,10)(11,12)/rA:29nCCCCCCCNCOCCCNNCCCCCCOCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s13;d24;s25;d26;s24s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9347 |
Area: | 619.982 |
Solvation: | -4.56482 |
Coulombic: | -42.1378 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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