Chemical ID: 5982600

COCCCNC(=O)c1cc(nn1c2ccc(cc2)F)c3cccc(c3)OC
Chemical ID:
5982600
Name [?]:
2-(4-fluorophenyl)-5-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILES [?]:
COCCCNC(=O)c1cc(nn1c2ccc(cc2)F)c3cccc(c3)OC
InChi [?]:
InChI=1/C21H22FN3O3/c1-27-12-4-11-23-21(26)20-14-19(15-5-3-6-18(13-15)28-2)24-25(20)17-9-7-16(22)8-10-17/h3,5-10,13-14H,4,11-12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,23,4,22,24,16,18,15,19,5,3,26,10,21,17,14,25,11,9,7,20,6,12,13,8,2,27/E:(7,8)(9,10)/rA:28nCOCCCNCOCCCNNCCCCCCFCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s11;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22FN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.15814
Area:624.337
Solvation:-6.45028
Coulombic:-46.0319
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:383.416
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):2.52

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