Chemical ID: 5985186

c1ccc(c(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCc4ccncc4)Cl
Chemical ID:
5985186
Name [?]:
2-(2-chlorophenyl)-5-(4-fluorophenyl)-N-(4-pyridylmethyl)pyrazole-3-carboxamide
SMILES [?]:
c1ccc(c(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCc4ccncc4)Cl
InChi [?]:
InChI=1/C22H16ClFN4O/c23-18-3-1-2-4-20(18)28-21(22(29)26-14-15-9-11-25-12-10-15)13-19(27-28)16-5-7-17(24)8-6-16/h1-13H,14H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,13,17,14,16,24,28,25,27,9,22,23,12,15,4,10,5,8,19,29,18,26,21,11,7,20/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCNCCCNCCCCCCFCONCCCCNCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s15;s8;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClFN4O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.4784
Area:579.238
Solvation:-4.00257
Coulombic:-37.8494
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.84
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.68
LogP (Chemaxon):3.87

Name Annotations

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Descriptor Annotations

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