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Chemical ID: 7160091

Cc1c(cn(n1)CCC(=O)N(C2CCCCC2)C3CCCCC3)[N+](=O)[O-]

Chemical ID:

7160091

Name [?]:

N,N-dicyclohexyl-3-(3-methyl-4-nitro-pyrazol-1-yl)-propanamide

SMILES [?]:

Cc1c(cn(n1)CCC(=O)N(C2CCCCC2)C3CCCCC3)[N+](=O)[O-]

InChi [?]:

InChI=1/C19H30N4O3/c1-15-18(23(25)26)14-21(20-15)13-12-19(24)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h14,16-17H,2-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,21,14,16,20,22,13,17,19,23,8,7,4,2,12,18,3,9,6,5,11,24,10,25,26/E:(2,3)(4,5,6,7)(8,9,10,11)(16,17)(25,26)/CRV:23.5/rA:26nCCCCNNCCCONCCCCCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₀N₄O₃
All Atoms:	56
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	7.57088
Area:	578.263
Solvation:	-6.8857
Coulombic:	-34.5336

Bond Count [?]

All:	28
Single:	24
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	362.467
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.96
LogP (Chemaxon):	2.97

Name Annotations

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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