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Chemical ID: 5986970

Cc1cccc(c1)n2c(cc(n2)c3cccc(c3)OC)C(=O)N4CCC(CC4)C

Chemical ID:

5986970

Name [?]:

[5-(3-methoxyphenyl)-2-(m-tolyl)pyrazol-3-yl]-(4-methyl-1-piperidyl)-methanone

SMILES [?]:

Cc1cccc(c1)n2c(cc(n2)c3cccc(c3)OC)C(=O)N4CCC(CC4)C

InChi [?]:

InChI=1/C24H27N3O2/c1-17-10-12-26(13-11-17)24(28)23-16-22(19-7-5-9-21(15-19)29-3)25-27(23)20-8-4-6-18(2)14-20/h4-9,14-17H,10-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:29,1,20,4,15,3,14,5,16,25,27,24,28,7,18,10,26,2,13,6,17,11,9,21,12,23,8,22,19/E:(10,11)(12,13)/rA:29nCCCCCCCNCCCNCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s9;d21;s21;s23;s24;s25;s26;s23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇N₃O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2112
Area:	612.234
Solvation:	-4.09466
Coulombic:	-31.5214

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	389.49
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.3
LogP (Chemaxon):	4.26

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