Chemical ID: 5981415

CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)F)c3ccccc3
Chemical ID:
5981415
Name [?]:
2-(4-fluorophenyl)-5-phenyl-N-sec-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)F)c3ccccc3
InChi [?]:
InChI=1/C20H20FN3O/c1-3-14(2)22-20(25)19-13-18(15-7-5-4-6-8-15)23-24(19)17-11-9-16(21)10-12-17/h4-14H,3H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,4,2,23,22,24,21,25,15,17,14,18,9,3,20,16,13,10,8,6,19,5,11,12,7/E:(5,6)(7,8)(9,10)(11,12)/rA:25cCCCCNCOCCCNNCCCCCCFCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s10;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20FN3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.4538
Area:548.86
Solvation:-3.26765
Coulombic:-33.1937
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.391
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.84
LogP (Chemaxon):4.11

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Descriptor Annotations

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