Chemical ID: 5982177

CC(C)CNC(=O)c1cc(nn1c2cccc(c2)Cl)c3ccc(cc3)F
Chemical ID:
5982177
Name [?]:
2-(3-chlorophenyl)-5-(4-fluorophenyl)-N-isobutyl-pyrazole-3-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1cc(nn1c2cccc(c2)Cl)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H19ClFN3O/c1-13(2)12-23-20(26)19-11-18(14-6-8-16(22)9-7-14)24-25(19)17-5-3-4-15(21)10-17/h3-11,13H,12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,14,21,25,22,24,18,9,4,2,20,17,23,13,10,8,6,19,26,5,11,12,7/E:(1,2)(6,7)(8,9)/rA:26nCCCCNCOCCCNNCCCCCCClCCCCCCF/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s17;s10;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClFN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3483
Area:592.349
Solvation:-3.4604
Coulombic:-33.3051
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.836
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.3
LogP (Chemaxon):4.62

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