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Chemical ID: 7196459
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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