Chemical ID: 7159732

Cc1c(cn(n1)CCC(=O)NCCCN2CCCC2=O)[N+](=O)[O-]
Chemical ID:
7159732
Name [?]:
3-(3-methyl-4-nitro-pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILES [?]:
Cc1c(cn(n1)CCC(=O)NCCCN2CCCC2=O)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H21N5O4/c1-11-12(19(22)23)10-18(16-11)9-5-13(20)15-6-3-8-17-7-2-4-14(17)21/h10H,2-9H2,1H3,(H,15,20)
InChi Info:
AuxInfo=1/1/N:1,17,13,18,8,12,16,14,7,4,2,3,9,19,11,6,15,5,21,10,20,22,23/E:(22,23)/CRV:19.5/rA:23nCCCCNNCCCONCCCNCCCCON+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s15s18;d19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N5O4
All Atoms:44
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.47886
Area:566.06
Solvation:-8.67265
Coulombic:-51.7064
Bond Count [?]
All:24
Single:19
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:323.348
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.14
LogP (Chemaxon):-0.97

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