Chemical ID: 5984966

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3F)C(=O)NCc4ccccn4
Chemical ID:
5984966
Name [?]:
2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-pyridylmethyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3F)C(=O)NCc4ccccn4
InChi [?]:
InChI=1/C24H21FN4O/c1-16-10-11-22(17(2)13-16)29-23(24(30)27-15-18-7-5-6-12-26-18)14-21(28-29)19-8-3-4-9-20(19)25/h3-14H,15H2,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,8,16,17,27,28,26,15,18,3,4,29,7,11,24,2,6,25,14,19,12,5,10,21,20,30,23,13,9,22/rA:30nCCCCCCCCNCCCNCCCCCCFCONCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s10;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21FN4O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.1147
Area:579.326
Solvation:-4.36849
Coulombic:-37.2858
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.448
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.81
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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