Chemical ID: 7212860

Cc1c(cn(n1)C(C)C(=O)NC2CCCCC2)Br
Chemical ID:
7212860
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-N-cyclohexyl-propanamide
SMILES [?]:
Cc1c(cn(n1)C(C)C(=O)NC2CCCCC2)Br
InChi [?]:
InChI=1/C13H20BrN3O/c1-9-12(14)8-17(16-9)10(2)13(18)15-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,8,15,14,16,13,17,4,2,7,12,3,9,18,11,6,5,10/E:(4,5)(6,7)/rA:18cCCCCNNCCCONCCCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrN3O
All Atoms:38
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.87695
Area:461.959
Solvation:-2.67203
Coulombic:-25.6397
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.222
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.98
LogP (Chemaxon):2.33

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