Chemical ID: 7154880

CCn1cc(cn1)CN(C)C(=O)c2c(cnn2C)[N+](=O)[O-]
Chemical ID:
7154880
Name [?]:
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethyl-4-nitro-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(cn1)CN(C)C(=O)c2c(cnn2C)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N6O3/c1-4-17-8-9(5-14-17)7-15(2)12(19)11-10(18(20)21)6-13-16(11)3/h5-6,8H,4,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,18,2,6,15,8,4,5,14,13,11,16,7,9,17,3,19,12,20,21/E:(20,21)/CRV:18.5/rA:21nCCNCCCNCNCCOCCCNNCN+OO-/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;s9;s9;d11;s11;d13;s14;d15;s13s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N6O3
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:2.99463
Area:479.037
Solvation:-8.98129
Coulombic:-35.9576
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:292.294
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.88
LogP (Chemaxon):-0.42

Name Annotations

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Descriptor Annotations

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