ChemDB: Chemical Search
Download
Chemical ID: 5982720
Chemical ID:
5982720
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)n2c(cc(n2)c3cccc(c3)OC)C(=O)NCCc4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C29H31N3O4/c1-19-9-10-20(2)25(15-19)32-26(18-24(31-32)22-7-6-8-23(17-22)34-3)29(33)30-14-13-21-11-12-27(35-4)28(16-21)36-5/h6-12,15-18H,13-14H2,1-5H3,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,36,20,35,33,15,14,16,3,4,27,28,25,24,7,31,18,10,2,5,26,13,17,11,6,9,29,30,21,23,12,8,22,19,34,32/rA:36nCCCCCCCNCCCNCCCCCCOCCONCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s9;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H31N3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0532 |
Area: | 738.98 |
Solvation: | -7.42131 |
Coulombic: | -50.3994 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 485.574 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.45 |
LogP (Chemaxon): | 4.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|