Chemical ID: 5981709

c1ccc(cc1)CCNC(=O)c2cc(nn2c3ccc(cc3)F)c4ccccc4F
Chemical ID:
5981709
Name [?]:
5-(2-fluorophenyl)-2-(4-fluorophenyl)-N-phenethyl-pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2cc(nn2c3ccc(cc3)F)c4ccccc4F
InChi [?]:
InChI=1/C24H19F2N3O/c25-18-10-12-19(13-11-18)29-23(16-22(28-29)20-8-4-5-9-21(20)26)24(30)27-15-14-17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,27,3,5,25,28,19,21,18,22,7,8,13,4,20,17,24,29,14,12,10,23,30,9,15,16,11/E:(2,3)(6,7)(10,11)(12,13)/rA:30nCCCCCCCCNCOCCCNNCCCCCCFCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;d20;d17s21;s20;s14;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19F2N3O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.4556
Area:623.958
Solvation:-5.14332
Coulombic:-36.7523
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.424
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.63
LogP (Chemaxon):5.05

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