Chemical ID: 7170664

Cn1cc(c(n1)C(=O)N)NC(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
7170664
Name [?]:
1-methyl-4-(4-nitrobenzoyl)amino-pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(c(n1)C(=O)N)NC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H11N5O4/c1-16-6-9(10(15-16)11(13)18)14-12(19)7-2-4-8(5-3-7)17(20)21/h2-6H,1H3,(H2,13,18)(H,14,19)
InChi Info:
AuxInfo=1/1/N:1,14,18,15,17,3,13,16,4,5,7,11,9,10,6,2,19,8,12,20,21/E:(2,3)(4,5)(20,21)/CRV:17.5/rA:21nCNCCCNCONNCOCCCCCCN+OO-/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N5O4
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.84706
Area:478.268
Solvation:-8.10966
Coulombic:-63.7987
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.247
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.9
LogP (Chemaxon):1.03

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Descriptor Annotations

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