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Chemical ID: 5985140

Cc1ccc(cc1C)c2cc(n(n2)C)C(=O)N(C)CCc3ccc(c(c3)OC)OC

Chemical ID:

5985140

Name [?]:

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N,2-dimethyl-pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(cc1C)c2cc(n(n2)C)C(=O)N(C)CCc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C24H29N3O3/c1-16-7-9-19(13-17(16)2)20-15-21(27(4)25-20)24(28)26(3)12-11-18-8-10-22(29-5)23(14-18)30-6/h7-10,13-15H,11-12H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,8,18,14,30,28,3,22,4,23,20,19,6,26,10,2,7,21,5,9,11,24,25,15,13,17,12,16,29,27/rA:30nCCCCCCCCCCCNNCCONCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d9s12;s12;s11;d15;s15;s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉N₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2328
Area:	661.146
Solvation:	-6.29591
Coulombic:	-37.4499

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	407.505
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.32
LogP (Chemaxon):	3.77

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value