Chemical ID: 5981434

c1ccc(cc1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCCN4CCCCC4
Chemical ID:
5981434
Name [?]:
2-(4-fluorophenyl)-5-phenyl-N-[2-(1-piperidyl)ethyl]pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCCN4CCCCC4
InChi [?]:
InChI=1/C23H25FN4O/c24-19-9-11-20(12-10-19)28-22(17-21(26-28)18-7-3-1-4-8-18)23(29)25-13-16-27-14-5-2-6-15-27/h1,3-4,7-12,17H,2,5-6,13-16H2,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,26,28,3,5,14,16,13,17,22,25,29,23,8,4,15,12,7,9,19,18,21,11,24,10,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:29nCCCCCCCCCNNCCCCCCFCONCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25FN4O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7662
Area:626.425
Solvation:-3.89442
Coulombic:-37.6326
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.469
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.32
LogP (Chemaxon):3.59

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