Chemical ID: 7159341

Cc1c(c(n(n1)CCC(=O)NCCCN(C)C)C)Br
Chemical ID:
7159341
Name [?]:
3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(3-dimethylaminopropyl)propanamide
SMILES [?]:
Cc1c(c(n(n1)CCC(=O)NCCCN(C)C)C)Br
InChi [?]:
InChI=1/C13H23BrN4O/c1-10-13(14)11(2)18(16-10)9-6-12(19)15-7-5-8-17(3)4/h5-9H2,1-4H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,18,16,17,13,8,12,14,7,2,4,9,3,19,11,6,15,5,10/E:(3,4)/rA:19nCCCCNNCCCONCCCNCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s15;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H23BrN4O
All Atoms:42
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.24
Area:523.703
Solvation:-2.85261
Coulombic:-28.4097
Bond Count [?]
All:19
Single:16
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:331.252
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.23
LogP (Chemaxon):0.43

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