Chemical ID: 5991784

Cc1ccc(cc1)NC(=O)c2cc(nn2c3cccc(c3)Cl)c4ccc(o4)C
Chemical ID:
5991784
Name [?]:
2-(3-chlorophenyl)-5-(5-methyl-2-furyl)-N-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc(nn2c3cccc(c3)Cl)c4ccc(o4)C
InChi [?]:
InChI=1/C22H18ClN3O2/c1-14-6-9-17(10-7-14)24-22(27)20-13-19(21-11-8-15(2)28-21)25-26(20)18-5-3-4-16(23)12-18/h3-13H,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,18,19,17,3,7,25,4,6,24,21,12,2,26,20,5,16,13,11,23,9,22,8,14,15,10,27/E:(6,7)(9,10)/rA:28nCCCCCCCNCOCCCNNCCCCCCClCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s20;s13;d23;s24;d25;s23s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3032
Area:617.723
Solvation:-3.13983
Coulombic:-36.1601
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:391.85
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.0
LogP (Chemaxon):4.85

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Descriptor Annotations

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