Chemical ID: 5985433

Cn1c(cc(n1)c2cccc(c2)OC)C(=O)NCc3ccc4c(c3)OCO4
Chemical ID:
5985433
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1c(cc(n1)c2cccc(c2)OC)C(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C20H19N3O4/c1-23-17(10-16(22-23)14-4-3-5-15(9-14)25-2)20(24)21-11-13-6-7-18-19(8-13)27-12-26-18/h3-10H,11-12H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,14,9,8,10,20,21,24,12,4,18,26,19,7,11,5,3,22,23,15,17,6,2,16,13,27,25/rA:27nCNCCCNCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;d3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s11;s13;s3;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.01731
Area:590.535
Solvation:-5.74605
Coulombic:-50.6656
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.383
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.25
LogP (Chemaxon):2.27

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