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Chemical ID: 5991764

Cc1ccc(o1)c2cc(n(n2)c3cccc(c3)Cl)C(=O)NCCN4CCCCC4

Chemical ID:

5991764

Name [?]:

2-(3-chlorophenyl)-5-(5-methyl-2-furyl)-N-[2-(1-piperidyl)ethyl]pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(o1)c2cc(n(n2)c3cccc(c3)Cl)C(=O)NCCN4CCCCC4

InChi [?]:

InChI=1/C22H25ClN4O2/c1-16-8-9-21(29-16)19-15-20(27(25-19)18-7-5-6-17(23)14-18)22(28)24-10-13-26-11-3-2-4-12-26/h5-9,14-15H,2-4,10-13H2,1H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,14,15,13,3,4,22,25,29,23,17,8,2,16,12,7,9,5,19,18,21,11,24,10,20,6/E:(3,4)(11,12)/rA:29nCCCCCOCCCNNCCCCCCClCONCCNCCCCC/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;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅ClN₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1902
Area:	662.379
Solvation:	-3.36931
Coulombic:	-40.9472

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	412.912
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.71
LogP (Chemaxon):	2.93

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