ChemDB: Chemical Search
Download
Chemical ID: 6299422
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|