Chemical ID: 5985937

Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)NC(C)C
Chemical ID:
5985937
Name [?]:
5-(2,4-dimethoxyphenyl)-N-isopropyl-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)NC(C)C
InChi [?]:
InChI=1/C22H25N3O3/c1-14(2)23-22(26)20-13-19(18-11-10-17(27-4)12-21(18)28-5)24-25(20)16-8-6-15(3)7-9-16/h6-14H,1-5H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:27,28,1,22,20,3,7,4,6,15,14,17,10,26,2,5,16,13,11,9,18,23,25,12,8,24,21,19/E:(1,2)(6,7)(8,9)/rA:28nCCCCCCCNCCCNCCCCCCOCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s9;d23;s23;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.41214
Area:612.55
Solvation:-5.9016
Coulombic:-41.2342
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:379.452
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):3.46

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Descriptor Annotations

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