Chemical ID: 5987085

c1ccc(cc1)n2c(cc(n2)c3ccccc3Cl)C(=O)NC4CCCCC4
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

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Descriptor Annotations

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