Chemical ID: 7159410

Cc1c(cn(n1)CCC(=O)NC(C)C2CCCO2)[N+](=O)[O-]
Chemical ID:
7159410
Name [?]:
3-(3-methyl-4-nitro-pyrazol-1-yl)-N-(1-tetrahydrofuran-2-ylethyl)propanamide
SMILES [?]:
Cc1c(cn(n1)CCC(=O)NC(C)C2CCCO2)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H20N4O4/c1-9-11(17(19)20)8-16(15-9)6-5-13(18)14-10(2)12-4-3-7-21-12/h8,10,12H,3-7H2,1-2H3,(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,13,16,15,8,7,17,4,2,12,3,14,9,11,6,5,19,10,20,21,18/E:(19,20)/CRV:17.5/rA:21cCCCCNNCCCONCCCCCCON+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s12;s14;s15;s16;s14s17;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N4O4
All Atoms:41
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:4.51949
Area:510.853
Solvation:-8.25183
Coulombic:-45.2435
Bond Count [?]
All:22
Single:18
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:296.322
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.98
LogP (Chemaxon):0.19

Name Annotations

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Descriptor Annotations

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