Chemical ID: 5991738

Cc1ccc(cc1)NC(=O)c2cc(nn2c3ccc(cc3)OC)c4ccc(o4)C
Chemical ID:
5991738
Name [?]:
2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-N-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc(nn2c3ccc(cc3)OC)c4ccc(o4)C
InChi [?]:
InChI=1/C23H21N3O3/c1-15-4-7-17(8-5-15)24-23(27)21-14-20(22-13-6-16(2)29-22)25-26(21)18-9-11-19(28-3)12-10-18/h4-14H,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,23,3,7,26,4,6,17,21,18,20,25,12,2,27,5,16,19,13,11,24,9,8,14,15,10,22,28/E:(4,5)(7,8)(9,10)(11,12)/rA:29nCCCCCCCNCOCCCNNCCCCCCOCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s13;d24;s25;d26;s24s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.9347
Area:619.982
Solvation:-4.56482
Coulombic:-42.1378
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.431
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.29
LogP (Chemaxon):4.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue