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Chemical ID: 5982523

Cc1ccc(cc1)n2c(cc(n2)c3cccc(c3)OC)C(=O)N4CCC(CC4)C

Chemical ID:

5982523

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)n2c(cc(n2)c3cccc(c3)OC)C(=O)N4CCC(CC4)C

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,29,20,15,14,16,3,7,4,6,25,27,24,28,18,10,2,26,13,5,17,11,9,21,12,23,8,22,19/E:(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCNCCCNCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;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:	11.125
Area:	609.491
Solvation:	-4.11225
Coulombic:	-31.4891

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

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Chemical Mix	Source	External ID	Descriptor	Value