Chemical ID: 7173355

CCn1c(c(cn1)[N+](=O)[O-])C(=O)Nc2cnn(c2C)C
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

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Descriptor Annotations

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