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Chemical ID: 5991762

Cc1ccc(o1)c2cc(n(n2)c3cccc(c3)Cl)C(=O)N4CCC(CC4)Cc5ccccc5

Chemical ID:

5991762

Name [?]:

(4-benzyl-1-piperidyl)-[2-(3-chlorophenyl)-5-(5-methyl-2-furyl)-pyrazol-3-yl]-methanone

SMILES [?]:

Cc1ccc(o1)c2cc(n(n2)c3cccc(c3)Cl)C(=O)N4CCC(CC4)Cc5ccccc5

InChi [?]:

InChI=1/C27H26ClN3O2/c1-19-10-11-26(33-19)24-18-25(31(29-24)23-9-5-8-22(28)17-23)27(32)30-14-12-21(13-15-30)16-20-6-3-2-4-7-20/h2-11,17-18,21H,12-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,31,30,32,14,29,33,15,13,3,4,23,25,22,26,27,17,8,2,28,24,16,12,7,9,5,19,18,11,21,10,20,6/E:(3,4)(6,7)(12,13)(14,15)/rA:33nCCCCCOCCCNNCCCCCCClCONCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s16;s9;d19;s19;s21;s22;s23;s24;s21s25;s24;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆ClN₃O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.3836
Area:	704.102
Solvation:	-3.219
Coulombic:	-33.5884

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	459.967
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.96
LogP (Chemaxon):	5.14

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