Chemical ID: 7197457

Cc1c(c(n(n1)C(C)C(=O)NN)C)[N+](=O)[O-]
Chemical ID:
7197457
Name [?]:
2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanehydrazide
SMILES [?]:
Cc1c(c(n(n1)C(C)C(=O)NN)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H13N5O3/c1-4-7(13(15)16)5(2)12(11-4)6(3)8(14)10-9/h6H,9H2,1-3H3,(H,10,14)
InChi Info:
AuxInfo=1/1/N:1,13,8,2,4,7,3,9,12,11,6,5,14,10,15,16/E:(15,16)/CRV:13.5/rA:16cCCCCNNCCCONNCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s4;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13N5O3
All Atoms:29
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:1.98164
Area:406.775
Solvation:-8.18773
Coulombic:-43.7608
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:227.221
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-0.23
LogP (Chemaxon):-0.34

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