Chemical ID: 5987383

Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)N4CCCC4)C
Chemical ID:
5987383
Name [?]:
[5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)-pyrazol-3-yl]-pyrrolidin-1-yl-methanone
SMILES [?]:
Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)N4CCCC4)C
InChi [?]:
InChI=1/C22H22ClN3O/c1-15-9-10-16(2)20(13-15)26-21(22(27)25-11-5-6-12-25)14-19(24-26)17-7-3-4-8-18(17)23/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,15,16,24,25,14,17,3,4,23,26,7,10,2,5,13,18,11,6,9,20,19,12,22,8,21/E:(5,6)(11,12)/rA:27nCCCCCCCNCCCNCCCCCCClCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s24;s22s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClN3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0368
Area:566.583
Solvation:-3.12776
Coulombic:-24.2234
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.882
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.37
LogP (Chemaxon):4.77

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Descriptor Annotations

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