Chemical ID: 7169868

Cc1cc(n(n1)CCCNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C)C
Chemical ID:
7169868
Name [?]:
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)-propanamide
SMILES [?]:
Cc1cc(n(n1)CCCNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C)C
InChi [?]:
InChI=1/C15H22N6O3/c1-11-9-12(2)19(18-11)7-4-6-16-15(22)5-8-20-13(3)14(10-17-20)21(23)24/h9-10H,4-8H2,1-3H3,(H,16,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,8,13,9,7,14,3,18,2,4,16,17,11,10,19,6,5,15,20,12,21,22/E:(23,24)/CRV:21.5/rA:24nCCCCNNCCCNCOCCNCCCNN+OO-CC/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s17;d20;s20;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N6O3
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.0214
Area:587.1
Solvation:-8.65609
Coulombic:-39.4371
Bond Count [?]
All:25
Single:19
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:334.374
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.38
LogP (Chemaxon):-0.23

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Descriptor Annotations

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