Chemical ID: 7159984

CCn1c(c(cn1)NC(=O)CCn2c(c(cn2)[N+](=O)[O-])C)C(=O)N
Chemical ID:
7159984
Name [?]:
2-ethyl-4-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(cn1)NC(=O)CCn2c(c(cn2)[N+](=O)[O-])C)C(=O)N
InChi [?]:
InChI=1/C13H17N7O4/c1-3-18-12(13(14)22)9(6-15-18)17-11(21)4-5-19-8(2)10(7-16-19)20(23)24/h6-7H,3-5H2,1-2H3,(H2,14,22)(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,21,2,11,12,6,16,14,5,15,9,4,22,24,7,17,8,3,13,18,10,23,19,20/E:(23,24)/CRV:20.5/rA:24nCCNCCCNNCOCCNCCCNN+OO-CCON/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;d9;s9;s11;s12;s13;d14;s15;s13d16;s15;d18;s18;s14;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N7O4
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.03773
Area:552.222
Solvation:-8.76782
Coulombic:-66.6103
Bond Count [?]
All:25
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:335.319
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.48
LogP (Chemaxon):-0.77

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Descriptor Annotations

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