Chemical ID: 7154483

Cc1c(cn(n1)CC(=O)N(CC(C)C)CC(C)C)Br
Chemical ID:
7154483
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-N,N-diisobutyl-acetamide
SMILES [?]:
Cc1c(cn(n1)CC(=O)N(CC(C)C)CC(C)C)Br
InChi [?]:
InChI=1/C14H24BrN3O/c1-10(2)6-17(7-11(3)4)14(19)9-18-8-13(15)12(5)16-18/h8,10-11H,6-7,9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:13,14,17,18,1,11,15,4,7,12,16,2,3,8,19,6,10,5,9/E:(1,2,3,4)(6,7)(10,11)/rA:19nCCCCNNCCONCCCCCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s8;s10;s11;s12;s12;s10;s15;s16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H24BrN3O
All Atoms:43
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.19303
Area:489.506
Solvation:-3.04461
Coulombic:-20.5551
Bond Count [?]
All:19
Single:16
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:330.264
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.93
LogP (Chemaxon):2.88

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