Chemical ID: 5985237

Cc1cccc(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCCC(C)C
Chemical ID:
5985237
Name [?]:
5-(4-fluorophenyl)-N-isopentyl-2-(m-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C22H24FN3O/c1-15(2)11-12-24-22(27)21-14-20(17-7-9-18(23)10-8-17)25-26(21)19-6-4-5-16(3)13-19/h4-10,13-15H,11-12H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:26,27,1,4,3,5,14,18,15,17,24,23,7,10,25,2,13,16,6,11,9,20,19,22,12,8,21/E:(1,2)(7,8)(9,10)/rA:27nCCCCCCCNCCCNCCCCCCFCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24FN3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5294
Area:603.459
Solvation:-3.5571
Coulombic:-33.2234
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.444
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.89
LogP (Chemaxon):4.89

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Descriptor Annotations

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