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Chemical ID: 7154483
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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