Chemical ID: 5898524

CC(C)C(C)NC(=O)c1cc(nn1c2ccc(cc2)[N+](=O)[O-])c3ccco3
Chemical ID:
5898524
Name [?]:
N-(1,2-dimethylpropyl)-5-(2-furyl)-2-(4-nitrophenyl)-pyrazole-3-carboxamide
SMILES [?]:
CC(C)C(C)NC(=O)c1cc(nn1c2ccc(cc2)[N+](=O)[O-])c3ccco3
InChi [?]:
InChI=1/C19H20N4O4/c1-12(2)13(3)20-19(24)17-11-16(18-5-4-10-27-18)21-22(17)14-6-8-15(9-7-14)23(25)26/h4-13H,1-3H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,3,5,25,24,15,19,16,18,26,10,2,4,14,17,11,9,23,7,6,12,13,20,8,21,22,27/E:(1,2)(6,7)(8,9)(25,26)/CRV:23.5/rA:27cCCCCCNCOCCCNNCCCCCCN+OO-CCCCO/rB:s1;s2;s2;s4;s4;s6;d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s11;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:6.9599
Area:594.127
Solvation:-7.89328
Coulombic:-47.5843
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.387
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.45
LogP (Chemaxon):3.28

Name Annotations

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Descriptor Annotations

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