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摘 要:STOCK1S-05021,ZINC00192498,EU-0068016, N,N,2-trimethyl-4-nitropyrazole-3-carboxamide,Canonical SMILES: CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N(C)C,InChI: InChI=1/C7H10N4O3/c1-9(2)7(12)6-5(11(13)14)4-8-10(6)3/h4H,1-3H3,Molecular Weight198.1793 [g/mol]Molecul
[Synonyms]
STOCK1S-05021
ZINC00192498
EU-0068016

[Structure]
STOCK1S-05021,ZINC00192498,EU-0068016, N,N,2-trimethyl-4-nitropyrazole

[ Properties Computed from Structure]
Molecular Weight198.1793 [g/mol]
Molecular FormulaC7H10N4O3
XLogP0.4
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count1
Exact Mass198.07529
MonoIsotopic Mass198.07529
Topological Polar Surface Area81.3
Heavy Atom Count14
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N,N,2-trimethyl-4-nitropyrazole-3-carboxamide
Canonical SMILES: CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N(C)C
InChI: InChI=1/C7H10N4O3/c1-9(2)7(12)6-5(11(13)14)4-8-10(6)3/h4H,1-3H3

 
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