Chemical ID: 5982596

CC1CN(CC(O1)C)C(=O)c2cc(nn2c3ccc(cc3)F)c4cccc(c4)OC
Chemical ID:
5982596
Name [?]:
(2,6-dimethylmorpholin-4-yl)-[2-(4-fluorophenyl)-5-(3-methoxyphenyl)-pyrazol-3-yl]-methanone
SMILES [?]:
CC1CN(CC(O1)C)C(=O)c2cc(nn2c3ccc(cc3)F)c4cccc(c4)OC
InChi [?]:
InChI=1/C23H24FN3O3/c1-15-13-26(14-16(2)30-15)23(28)22-12-21(17-5-4-6-20(11-17)29-3)25-27(22)19-9-7-18(24)8-10-19/h4-12,15-16H,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,30,25,24,26,18,20,17,21,28,12,3,5,2,6,23,19,16,27,13,11,9,22,14,4,15,10,29,7/E:(1,2)(7,8)(9,10)(13,14)(15,16)/rA:30cCCCNCCOCCOCCCNNCCCCCCFCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s13;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24FN3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:9.43312
Area:617.436
Solvation:-6.00279
Coulombic:-42.2226
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.453
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.18
LogP (Chemaxon):3.36

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