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Chemical ID: 5987381
Chemical ID:
5987381
Name [?]:
5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)-N-isopropyl-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NC(C)C)C
InChi [?]:
InChI=1/C21H22ClN3O/c1-13(2)23-21(26)20-12-18(16-7-5-6-8-17(16)22)24-25(20)19-11-14(3)9-10-15(19)4/h5-13H,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:24,25,1,26,15,16,14,17,3,4,7,10,23,2,5,13,18,11,6,9,20,19,22,12,8,21/E:(1,2)/rA:26nCCCCCCCNCCCNCCCCCCClCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22ClN3O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5913 |
Area: | 551.784 |
Solvation: | -2.20326 |
Coulombic: | -30.0732 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.872 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.61 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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