Chemical ID: 5984963

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3F)C(=O)NCCCOC
Chemical ID:
5984963
Name [?]:
2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3F)C(=O)NCCCOC
InChi [?]:
InChI=1/C22H24FN3O2/c1-15-9-10-20(16(2)13-15)26-21(22(27)24-11-6-12-28-3)14-19(25-26)17-7-4-5-8-18(17)23/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,8,28,16,17,25,15,18,3,4,24,26,7,11,2,6,14,19,12,5,10,21,20,23,13,9,22,27/rA:28nCCCCCCCCNCCCNCCCCCCFCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s10;d21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24FN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.84313
Area:597.431
Solvation:-5.09264
Coulombic:-39.9079
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.443
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.43
LogP (Chemaxon):3.71

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