Chemical ID: 5981545

CCCCCCNC(=O)c1cc(nn1c2ccc(c(c2)Cl)Cl)c3ccccc3
Chemical ID:
5981545
Name [?]:
2-(3,4-dichlorophenyl)-N-hexyl-5-phenyl-pyrazole-3-carboxamide
SMILES [?]:
CCCCCCNC(=O)c1cc(nn1c2ccc(c(c2)Cl)Cl)c3ccccc3
InChi [?]:
InChI=1/C22H23Cl2N3O/c1-2-3-4-8-13-25-22(28)21-15-20(16-9-6-5-7-10-16)26-27(21)17-11-12-18(23)19(24)14-17/h5-7,9-12,14-15H,2-4,8,13H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,26,25,27,5,24,28,16,17,6,20,11,23,15,18,19,12,10,8,22,21,7,13,14,9/E:(6,7)(9,10)/rA:28nCCCCCCNCOCCCNNCCCCCCClClCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s19;s18;s12;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23Cl2N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:14.3275
Area:672.093
Solvation:-2.4748
Coulombic:-31.2168
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:416.343
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.17
LogP (Chemaxon):5.78

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Descriptor Annotations

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