Chemical ID: 4632023

CC(=O)N1C(CC(=N1)c2ccc(cc2)OC)c3ccc(cc3)OC
Chemical ID:
4632023
Name [?]:
1-[3,5-bis(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]ethanone
SMILES [?]:
CC(=O)N1C(CC(=N1)c2ccc(cc2)OC)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H20N2O3/c1-13(22)21-19(15-6-10-17(24-3)11-7-15)12-18(20-21)14-4-8-16(23-2)9-5-14/h4-11,19H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,24,10,14,18,22,11,13,19,21,6,2,9,17,12,20,7,5,8,4,3,15,23/E:(4,5)(6,7)(8,9)(10,11)/rA:24cCCONCCCNCCCCCCOCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s4d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s5;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.34631
Area:539.792
Solvation:-5.14848
Coulombic:-29.2576
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:324.374
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.58
LogP (Chemaxon):2.63

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Descriptor Annotations

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