Chemical ID: 5985073

Cc1ccc(cc1C)c2cc(n(n2)c3ccccc3Cl)C(=O)N4CCN(CC4)C(=O)C
Chemical ID:
5985073
Name [?]:
1-[4-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone
SMILES [?]:
Cc1ccc(cc1C)c2cc(n(n2)c3ccccc3Cl)C(=O)N4CCN(CC4)C(=O)C
InChi [?]:
InChI=1/C24H25ClN4O2/c1-16-8-9-19(14-17(16)2)21-15-23(29(26-21)22-7-5-4-6-20(22)25)24(31)28-12-10-27(11-13-28)18(3)30/h4-9,14-15H,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,31,17,16,18,15,3,4,25,27,24,28,6,10,2,7,29,5,19,9,14,11,21,20,13,26,23,12,30,22/E:(10,11)(12,13)/rA:31nCCCCCCCCCCCNNCCCCCCClCONCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s19;s11;d21;s21;s23;s24;s25;s26;s23s27;s26;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25ClN4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.0814
Area:651.189
Solvation:-4.19831
Coulombic:-38.9772
Bond Count [?]
All:34
Single:24
Double:10
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:436.934
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.51
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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