Chemical ID: 7175805

Cc1c(cnn1CCC(=O)NCCN2CCOCC2)[N+](=O)[O-]
Chemical ID:
7175805
Name [?]:
3-(5-methyl-4-nitro-pyrazol-1-yl)-N-(2-morpholinoethyl)propanamide
SMILES [?]:
Cc1c(cnn1CCC(=O)NCCN2CCOCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H21N5O4/c1-11-12(18(20)21)10-15-17(11)4-2-13(19)14-3-5-16-6-8-22-9-7-16/h10H,2-9H2,1H3,(H,14,19)
InChi Info:
AuxInfo=1/1/N:1,8,12,7,13,15,19,16,18,4,2,3,9,11,5,14,6,20,10,21,22,17/E:(6,7)(8,9)(20,21)/CRV:18.5/rA:22nCCCCNNCCCONCCNCCOCCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s14s18;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N5O4
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.17847
Area:535.202
Solvation:-9.20156
Coulombic:-49.3093
Bond Count [?]
All:23
Single:19
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.337
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:-0.29
LogP (Chemaxon):-0.97

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