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Chemical ID: 5987312
Chemical ID:
5987312
Name [?]:
5-(2-chlorophenyl)-N-hexyl-2-(4-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
CCCCCCNC(=O)c1cc(nn1c2ccc(cc2)OC)c3ccccc3Cl
InChi [?]:
InChI=1/C23H26ClN3O2/c1-3-4-5-8-15-25-23(28)22-16-21(19-9-6-7-10-20(19)24)26-27(22)17-11-13-18(29-2)14-12-17/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,4,25,26,5,24,27,16,20,17,19,6,11,15,18,23,28,12,10,8,29,7,13,14,9,21/E:(11,12)(13,14)/rA:29nCCCCCCNCOCCCNNCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s12;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26ClN3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4417 |
Area: | 665.102 |
Solvation: | -4.18585 |
Coulombic: | -36.8989 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 411.924 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.46 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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