Chemical ID: 7196459

Cc1c(c(n(n1)Cn2ccc(n2)C(=O)NN)C)[N+](=O)[O-]
Chemical ID:
7196459
Name [?]:
1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carbohydrazide
SMILES [?]:
Cc1c(c(n(n1)Cn2ccc(n2)C(=O)NN)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H13N7O3/c1-6-9(17(19)20)7(2)16(13-6)5-15-4-3-8(14-15)10(18)12-11/h3-4H,5,11H2,1-2H3,(H,12,18)
InChi Info:
AuxInfo=1/1/N:1,17,10,9,7,2,4,11,3,13,16,15,6,12,8,5,18,14,19,20/E:(19,20)/CRV:17.5/rA:20nCCCCNNCNCCCNCONNCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;s8d11;s11;d13;s13;s15;s4;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N7O3
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.7515
Area:472.036
Solvation:-8.04941
Coulombic:-50.2283
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.256
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-0.08
LogP (Chemaxon):0.01

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