Chemical ID: 5991440

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(o3)C)C(=O)NC(C)c4ccccc4
Chemical ID:
5991440
Name [?]:
2-(2,4-dimethylphenyl)-5-(5-methyl-2-furyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(o3)C)C(=O)NC(C)c4ccccc4
InChi [?]:
InChI=1/C25H25N3O2/c1-16-10-12-22(17(2)14-16)28-23(15-21(27-28)24-13-11-18(3)30-24)25(29)26-19(4)20-8-6-5-7-9-20/h5-15,19H,1-4H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,8,19,24,28,27,29,26,30,3,16,4,15,7,11,2,6,17,23,25,12,5,10,14,20,22,13,9,21,18/E:(6,7)(8,9)/rA:30cCCCCCCCCNCCCNCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;d14;s15;d16;s14s17;s17;s10;d20;s20;s22;s23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.9323
Area:649.369
Solvation:-3.30194
Coulombic:-37.3021
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:399.485
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.27
LogP (Chemaxon):4.83

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Descriptor Annotations

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