Chemical ID: 7157696

Cc1c(cn(n1)CCC(=O)N2CCCC2)[N+](=O)[O-]
Chemical ID:
7157696
Name [?]:
3-(3-methyl-4-nitro-pyrazol-1-yl)-1-pyrrolidin-1-yl-propan-1-one
SMILES [?]:
Cc1c(cn(n1)CCC(=O)N2CCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H16N4O3/c1-9-10(15(17)18)8-14(12-9)7-4-11(16)13-5-2-3-6-13/h8H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,8,12,15,7,4,2,3,9,6,11,5,16,10,17,18/E:(2,3)(5,6)(17,18)/CRV:15.5/rA:18nCCCCNNCCCONCCCCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s11s14;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N4O3
All Atoms:34
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:4.07074
Area:449.001
Solvation:-7.15427
Coulombic:-32.3946
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:252.27
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.81
LogP (Chemaxon):0.12

Name Annotations

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Descriptor Annotations

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