Chemical ID: 7189667

Cc1c(c(n(n1)CC(C)C(=O)NN)C)Br
Chemical ID:
7189667
Name [?]:
3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanehydrazide
SMILES [?]:
Cc1c(c(n(n1)CC(C)C(=O)NN)C)Br
InChi [?]:
InChI=1/C9H15BrN4O/c1-5(9(15)12-11)4-14-7(3)8(10)6(2)13-14/h5H,4,11H2,1-3H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:9,1,14,7,8,2,4,3,10,15,13,12,6,5,11/rA:15cCCCCNNCCCCONNCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s8;d10;s10;s12;s4;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15BrN4O
All Atoms:30
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.33368
Area:409.958
Solvation:-2.91526
Coulombic:-30.0234
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.146
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.32
LogP (Chemaxon):0.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue