Chemical ID: 5029541

Cc1ccc(cc1C)N2C(=O)C(=CNc3ccc(cc3)F)C(=N2)C
Chemical ID:
5029541
Name [?]:
2-(3,4-dimethylphenyl)-4-[(4-fluorophenyl)aminomethylene]-5-methyl-pyrazol-3-one
SMILES [?]:
Cc1ccc(cc1C)N2C(=O)C(=CNc3ccc(cc3)F)C(=N2)C
InChi [?]:
InChI=1/C19H18FN3O/c1-12-4-9-17(10-13(12)2)23-19(24)18(14(3)22-23)11-21-16-7-5-15(20)6-8-16/h4-11,21H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,24,3,17,19,16,20,4,6,13,2,7,22,18,15,5,12,10,21,14,23,9,11/E:(5,6)(7,8)/rA:24nCCCCCCCCNCOCCNCCCCCCFCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;s14;s15;d16;s17;d18;d15s19;s18;s12;s9d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18FN3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2778
Area:532.277
Solvation:-3.02907
Coulombic:-31.4099
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:323.364
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.38
LogP (Chemaxon):4.69

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