ChemDB: Chemical Search
Download
Chemical ID: 7154184
Chemical ID:
7154184
Name [?]:
N-cyclopentyl-3-(4-nitropyrazol-1-yl)-propanamide
SMILES [?]:
c1c(cn(n1)CCC(=O)NC2CCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H16N4O3/c16-11(13-9-3-1-2-4-9)5-6-14-8-10(7-12-14)15(17)18/h7-9H,1-6H2,(H,13,16)
InChi Info:
AuxInfo=1/1/N:13,14,12,15,7,6,1,3,11,2,8,5,10,4,16,9,17,18/E:(1,2)(3,4)(17,18)/CRV:15.5/rA:18nCCCNNCCCONCCCCCN+OO-/rB:s1;d2;s3;d1s4;s4;s6;s7;d8;s8;s10;s11;s12;s13;s11s14;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N4O3 |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.84229 |
Area: | 459.231 |
Solvation: | -7.63849 |
Coulombic: | -36.6994 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 252.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.28 |
LogP (Chemaxon): | 0.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|