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Chemical ID: 7212062

Chemical ID:

7212062

Name [?]:

2-(4-bromo-5-methyl-pyrazol-1-yl)-N-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-acetamide

SMILES [?]:

Cc1c(cnn1CC(=O)NN2CC[NH+](CC2)C)Br

InChi [?]:

InChI=1/C11H18BrN5O/c1-9-10(12)7-13-17(9)8-11(18)14-16-5-3-15(2)4-6-16/h7H,3-6,8H2,1-2H3,(H,14,18)/p+1

InChi Info:

AuxInfo=1/1/N:1,17,13,15,12,16,4,7,2,3,8,18,5,10,14,11,6,9/E:(3,4)(5,6)/rA:18nCCCCNNCCONNCCN+CCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₉BrN₅O+
All Atoms:	37
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-23.7434
Area:	459.97
Solvation:	-35.2426
Coulombic:	8.94473

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	317.206
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	0.15
LogP (Chemaxon):	-0.28

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value