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Chemical ID: 5880049

CCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)NC3CCCCC3

Chemical ID:

5880049

Name [?]:

N-[2-(4-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-2-(cyclohexylcarbamoyl-propyl-amino)-acetamide

SMILES [?]:

CCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C25H36ClN5O2/c1-5-15-30(24(33)27-19-9-7-6-8-10-19)17-23(32)28-22-16-21(25(2,3)4)29-31(22)20-13-11-18(26)12-14-20/h11-14,16,19H,5-10,15,17H2,1-4H3,(H,27,33)(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,22,23,24,2,31,30,32,29,33,16,18,15,19,3,10,5,17,28,14,11,9,6,25,21,20,27,8,12,4,13,7,26/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)/rA:33nCCCNCCONCCCNNCCCCCCClCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s11;s21;s21;s21;s4;d25;s25;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₆ClN₅O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	15.1649
Area:	751.006
Solvation:	-3.61027
Coulombic:	-57.9556

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	474.039
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.98
LogP (Chemaxon):	5.36

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value