Chemical ID: 6299692

CCOC(=O)C(C)n1c(c(c(n1)C)[N+](=O)[O-])C
Chemical ID:
6299692
Name [?]:
ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoate
SMILES [?]:
CCOC(=O)C(C)n1c(c(c(n1)C)[N+](=O)[O-])C
InChi [?]:
InChI=1/C10H15N3O4/c1-5-17-10(14)8(4)12-7(3)9(13(15)16)6(2)11-12/h8H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,17,7,2,11,9,6,10,4,12,8,14,5,15,16,3/E:(15,16)/CRV:13.5/rA:17cCCOCOCCNCCCNCN+OO-C/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;s8d11;s11;s10;d14;s14;s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15N3O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:3.88741
Area:437.799
Solvation:-7.05757
Coulombic:-36.6654
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:241.244
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.72
LogP (Chemaxon):0.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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