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Chemical ID: 5991784
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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