Chemical ID: 6299422

Cc1c(c(n(n1)CCC(=O)NN)C)Br
Chemical ID:
6299422
Name [?]:
3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanehydrazide
SMILES [?]:
Cc1c(c(n(n1)CCC(=O)NN)C)Br
InChi [?]:
InChI=1/C8H13BrN4O/c1-5-8(9)6(2)13(12-5)4-3-7(14)11-10/h3-4,10H2,1-2H3,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,13,8,7,2,4,9,3,14,12,11,6,5,10/rA:14nCCCCNNCCCONNCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s4;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13BrN4O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.81905
Area:397.007
Solvation:-3.10613
Coulombic:-29.2171
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.119
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.02
LogP (Chemaxon):0.14

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