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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

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value