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Chemical ID: 5986651

Cc1cccc(c1)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)NCc4ccccc4

Chemical ID:

5986651

Name [?]:

N-benzyl-5-(2,4-dimethoxyphenyl)-2-(m-tolyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1cccc(c1)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)NCc4ccccc4

InChi [?]:

InChI=1/C26H25N3O3/c1-18-8-7-11-20(14-18)29-24(26(30)27-17-19-9-5-4-6-10-19)16-23(28-29)22-13-12-21(31-2)15-25(22)32-3/h4-16H,17H2,1-3H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,22,20,30,29,31,4,3,28,32,5,15,14,7,17,10,26,2,27,6,16,13,11,9,18,23,25,12,8,24,21,19/E:(5,6)(9,10)/rA:32nCCCCCCCNCCCNCCCCCCOCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s9;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8254
Area:	677.707
Solvation:	-6.11729
Coulombic:	-42.9631

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	427.495
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.42
LogP (Chemaxon):	4.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value