Chemical ID: 7211529

Cc1c(cnn1CC(=O)N2CCCC2)Br
Chemical ID:
7211529
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
Cc1c(cnn1CC(=O)N2CCCC2)Br
InChi [?]:
InChI=1/C10H14BrN3O/c1-8-9(11)6-12-14(8)7-10(15)13-4-2-3-5-13/h6H,2-5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,4,7,2,3,8,15,5,10,6,9/E:(2,3)(4,5)/rA:15nCCCCNNCCONCCCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14BrN3O
All Atoms:29
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.87362
Area:399.588
Solvation:-3.11608
Coulombic:-19.0577
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.142
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.37
LogP (Chemaxon):0.62

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