Chemical ID: 6489618

Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)N(C)C)C(=N2)C
Chemical ID:
6489618
Name [?]:
4-[(4-dimethylaminophenyl)methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)N(C)C)C(=N2)C
InChi [?]:
InChI=1/C20H21N3O/c1-14-5-9-18(10-6-14)23-20(24)19(15(2)21-23)13-16-7-11-17(12-8-16)22(3)4/h5-13H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,21,3,7,14,18,4,6,15,17,12,2,22,13,16,5,11,9,23,19,8,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:24nCCCCCCCNCOCCCCCCCCNCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s11;s8d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8112
Area:533.107
Solvation:-2.51645
Coulombic:-23.7652
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:319.4
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.41
LogP (Chemaxon):4.83

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Descriptor Annotations

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