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Chemical ID: 7157246

CCn1c(c(cn1)CN(C)C(=O)CCn2ccc(n2)[N+](=O)[O-])C

Chemical ID:

7157246

Name [?]:

N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-3-(3-nitropyrazol-1-yl)-propanamide

SMILES [?]:

CCn1c(c(cn1)CN(C)C(=O)CCn2ccc(n2)[N+](=O)[O-])C

InChi [?]:

InChI=1/C14H20N6O3/c1-4-19-11(2)12(9-15-19)10-17(3)14(21)6-8-18-7-5-13(16-18)20(22)23/h5,7,9H,4,6,8,10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,23,10,2,17,13,16,14,6,8,4,5,18,11,7,19,9,15,3,20,12,21,22/E:(22,23)/CRV:20.5/rA:23nCCNCCCNCNCCOCCNCCCNN+OO-C/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;s9;s9;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀N₆O₃
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	3.91938
Area:	538.751
Solvation:	-9.5494
Coulombic:	-37.0885

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	320.347
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.02
LogP (Chemaxon):	0.73

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value