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Chemical ID: 5987085
Chemical ID:
5987085
Name [?]:
5-(2-chlorophenyl)-N-cyclohexyl-2-phenyl-pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)n2c(cc(n2)c3ccccc3Cl)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C22H22ClN3O/c23-19-14-8-7-13-18(19)20-15-21(22(27)24-16-9-3-1-4-10-16)26(25-20)17-11-5-2-6-12-17/h2,5-8,11-16H,1,3-4,9-10H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:25,1,24,26,2,6,14,15,23,27,3,5,13,16,9,22,4,12,17,10,8,19,18,21,11,7,20/E:(3,4)(5,6)(9,10)(11,12)/rA:27nCCCCCCNCCCNCCCCCCClCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s17;s8;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22ClN3O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7335 |
Area: | 584.498 |
Solvation: | -2.87893 |
Coulombic: | -30.2326 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.882 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.89 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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