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Chemical ID: 5985062

Cc1ccc(cc1C)c2cc(n(n2)c3ccccc3Cl)C(=O)NCCCN4CCOCC4

Chemical ID:

5985062

Name [?]:

2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-N-(3-morpholinopropyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(cc1C)c2cc(n(n2)c3ccccc3Cl)C(=O)NCCCN4CCOCC4

InChi [?]:

InChI=1/C25H29ClN4O2/c1-18-8-9-20(16-19(18)2)22-17-24(30(28-22)23-7-4-3-6-21(23)26)25(31)27-10-5-11-29-12-14-32-15-13-29/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,8,17,16,25,18,15,3,4,24,26,28,32,29,31,6,10,2,7,5,19,9,14,11,21,20,23,13,27,12,22,30/E:(12,13)(14,15)/rA:32nCCCCCCCCCCCNNCCCCCCClCONCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s19;s11;d21;s21;s23;s24;s25;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉ClN₄O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0629
Area:	689.783
Solvation:	-4.1817
Coulombic:	-42.6504

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	452.976
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.75
LogP (Chemaxon):	3.89

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