Chemical ID: 4135519

Cc1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)C=O
Chemical ID:
4135519
Name [?]:
3-(4-fluorophenyl)-1-(p-tolyl)pyrazole-4-carbaldehyde
SMILES [?]:
Cc1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)C=O
InChi [?]:
InChI=1/C17H13FN2O/c1-12-2-8-16(9-3-12)20-10-14(11-21)17(19-20)13-4-6-15(18)7-5-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,14,18,15,17,4,6,9,20,2,13,10,16,5,11,19,12,8,21/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCNCCCNCCCCCCFCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s16;s10;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.94655
Area:475.189
Solvation:-3.93319
Coulombic:-16.3793
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.296
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.23
LogP (Chemaxon):4.37

Name Annotations

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Descriptor Annotations

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