Chemical ID: 5986791

CCN(CC)C(=O)c1cc(nn1c2cccc(c2)[N+](=O)[O-])c3ccccc3F
Chemical ID:
5986791
Name [?]:
N,N-diethyl-5-(2-fluorophenyl)-2-(3-nitrophenyl)-pyrazole-3-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cc(nn1c2cccc(c2)[N+](=O)[O-])c3ccccc3F
InChi [?]:
InChI=1/C20H19FN4O3/c1-3-23(4-2)20(26)19-13-18(16-10-5-6-11-17(16)21)22-24(19)14-8-7-9-15(12-14)25(27)28/h5-13H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,24,25,15,14,16,23,26,18,9,13,17,22,27,10,8,6,28,11,3,12,19,7,20,21/E:(1,2)(3,4)(27,28)/CRV:25.5/rA:28nCCNCCCOCCCNNCCCCCCN+OO-CCCCCCF/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s10;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19FN4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.41297
Area:574.434
Solvation:-8.94787
Coulombic:-38.581
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.388
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.36
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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