Chemical ID: 7211445

CCn1c(c(c(n1)C)CN(C)C(=O)c2c(cnn2CC)[N+](=O)[O-])C
Chemical ID:
7211445
Name [?]:
2-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-4-nitro-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(c(n1)C)CN(C)C(=O)c2c(cnn2CC)[N+](=O)[O-])C
InChi [?]:
InChI=1/C15H22N6O3/c1-6-19-11(4)12(10(3)17-19)9-18(5)15(22)14-13(21(23)24)8-16-20(14)7-2/h8H,6-7,9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,8,24,11,2,19,16,9,6,4,5,15,14,12,17,7,10,3,18,21,13,22,23/E:(23,24)/CRV:21.5/rA:24nCCNCCCNCCNCCOCCCNNCCN+OO-C/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s19;s15;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N6O3
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.89561
Area:503.868
Solvation:-8.7011
Coulombic:-36.3647
Bond Count [?]
All:25
Single:19
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:334.374
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.68
LogP (Chemaxon):0.1

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Descriptor Annotations

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