Chemical ID: 6499670

Cc1ccc(cc1C)N2C(=O)C(=CN(C)C)C(=N2)C
Chemical ID:
6499670
Name [?]:
4-(dimethylaminomethylene)-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one
SMILES [?]:
Cc1ccc(cc1C)N2C(=O)C(=CN(C)C)C(=N2)C
InChi [?]:
InChI=1/C15H19N3O/c1-10-6-7-13(8-11(10)2)18-15(19)14(9-17(4)5)12(3)16-18/h6-9H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,19,15,16,3,4,6,13,2,7,17,5,12,10,18,14,9,11/E:(4,5)/rA:19nCCCCCCCCNCOCCNCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;s14;s14;s12;s9d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.42637
Area:452.056
Solvation:-1.87503
Coulombic:-22.6908
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:257.331
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):3.08

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Descriptor Annotations

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