Chemical ID: 5982040

Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCCN4CCCCC4
Chemical ID:
5982040
Name [?]:
5-(4-fluorophenyl)-N-[2-(1-piperidyl)ethyl]-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCCN4CCCCC4
InChi [?]:
InChI=1/C24H27FN4O/c1-18-5-11-21(12-6-18)29-23(17-22(27-29)19-7-9-20(25)10-8-19)24(30)26-13-16-28-14-3-2-4-15-28/h5-12,17H,2-4,13-16H2,1H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,3,7,14,18,15,17,4,6,23,26,30,24,10,2,13,16,5,11,9,20,19,22,12,25,8,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:30nCCCCCCCNCCCNCCCCCCFCONCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;s22;s23;s24;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27FN4O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.0742
Area:649.067
Solvation:-4.1525
Coulombic:-37.1875
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.496
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.75
LogP (Chemaxon):4.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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