Chemical ID: 7220974

CCn1cc(c(n1)C)CNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C
Chemical ID:
7220974
Name [?]:
N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)-propanamide
SMILES [?]:
CCn1cc(c(n1)C)CNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C14H20N6O3/c1-4-18-9-12(10(2)17-18)7-15-14(21)5-6-19-11(3)13(8-16-19)20(22)23/h8-9H,4-7H2,1-3H3,(H,15,21)
InChi Info:
AuxInfo=1/1/N:1,8,23,2,13,14,9,18,4,6,16,5,17,11,10,19,7,3,15,20,12,21,22/E:(22,23)/CRV:20.5/rA:23nCCNCCCNCCNCOCCNCCCNN+OO-C/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s17;d20;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N6O3
All Atoms:43
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.47914
Area:558.592
Solvation:-8.48566
Coulombic:-39.7301
Bond Count [?]
All:24
Single:18
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:320.347
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.03
LogP (Chemaxon):-0.04

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Descriptor Annotations

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