Chemical ID: 5981654

CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)Cl)c3ccccc3F
Chemical ID:
5981654
Name [?]:
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-sec-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)Cl)c3ccccc3F
InChi [?]:
InChI=1/C20H19ClFN3O/c1-3-13(2)23-20(26)19-12-18(16-6-4-5-7-17(16)22)24-25(19)15-10-8-14(21)9-11-15/h4-13H,3H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,4,2,22,23,21,24,15,17,14,18,9,3,16,13,20,25,10,8,6,19,26,5,11,12,7/E:(8,9)(10,11)/rA:26cCCCCNCOCCCNNCCCCCCClCCCCCCF/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClFN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.6006
Area:580.404
Solvation:-3.90952
Coulombic:-32.6581
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.836
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.46
LogP (Chemaxon):4.63

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Descriptor Annotations

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