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Chemical ID: 7220916

Chemical ID:

7220916

Name [?]:

N-cycloheptyl-3-(5-methyl-4-nitro-pyrazol-1-yl)-propanamide

SMILES [?]:

Cc1c(cnn1CCC(=O)NC2CCCCCC2)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H22N4O3/c1-11-13(18(20)21)10-15-17(11)9-8-14(19)16-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,16,19)

InChi Info:

AuxInfo=1/1/N:1,15,16,14,17,13,18,8,7,4,2,12,3,9,5,11,6,19,10,20,21/E:(2,3)(4,5)(6,7)(20,21)/CRV:18.5/rA:21nCCCCNNCCCONCCCCCCCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s12s17;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₂N₄O₃
All Atoms:	43
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	5.33783
Area:	502.873
Solvation:	-7.23398
Coulombic:	-37.9246

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	294.35
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.65
LogP (Chemaxon):	1.37

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