Chemical ID: 7153704

Cn1c(c(cn1)NC(=O)CCn2cc(cn2)[N+](=O)[O-])C(=O)N
Chemical ID:
7153704
Name [?]:
2-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(cn1)NC(=O)CCn2cc(cn2)[N+](=O)[O-])C(=O)N
InChi [?]:
InChI=1/C11H13N7O4/c1-16-10(11(12)20)8(5-13-16)15-9(19)2-3-17-6-7(4-14-17)18(21)22/h4-6H,2-3H2,1H3,(H2,12,20)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,10,11,15,5,13,14,4,8,3,20,22,6,16,7,2,12,17,9,21,18,19/E:(21,22)/CRV:18.5/rA:22nCNCCCNNCOCCNCCCNN+OO-CON/rB:s1;s2;d3;s4;s2d5;s4;s7;d8;s8;s10;s11;s12;d13;s14;s12d15;s14;d17;s17;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N7O4
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.63259
Area:515.995
Solvation:-9.26727
Coulombic:-65.6927
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:307.266
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-0.18
LogP (Chemaxon):-1.12

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Descriptor Annotations

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