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Chemical ID: 7173355
Chemical ID:
7173355
Name [?]:
N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-4-nitro-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(cn1)[N+](=O)[O-])C(=O)Nc2cnn(c2C)C
InChi [?]:
InChI=1/C11H14N6O3/c1-4-16-10(9(6-13-16)17(19)20)11(18)14-8-5-12-15(3)7(8)2/h5-6H,4H2,1-3H3,(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,15,6,18,14,5,4,11,16,7,13,17,3,8,12,9,10/E:(19,20)/CRV:17.5/rA:20nCCNCCCNN+OO-CONCCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;s4;d11;s11;s13;s14;d15;s16;d14s17;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N6O3 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.66566 |
Area: | 466.248 |
Solvation: | -8.99053 |
Coulombic: | -39.9187 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.23 |
LogP (Chemaxon): | -0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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