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N-[(4-dimethylaminophenyl)methylideneamino]-2H-pyrazole-3-carboxamide

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摘 要: N-[(4-dimethylaminophenyl)methylideneamino]-2H-pyrazole-3-carboxamide,Canonical SMILES: CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=NN2,InChI: InChI=1/C13H15N5O/c1-18(2)11-5-3-10(4-6-11)9-15-17-13(19)12-7-8-14-16-,12/h3-9H,1-2H3,(H,14,16)(H,17,19)/f/h16-17H,Mo
[Synonyms]

[Structure]
 N-[(4-dimethylaminophenyl)methylideneamino]-2H-pyrazole-3-carboxamide

[ Properties Computed from Structure]
Molecular Weight257.2911 [g/mol]
Molecular FormulaC13H15N5O
XLogP3
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count5
Exact Mass257.12766
MonoIsotopic Mass257.12766
Topological Polar Surface Area73.4
Heavy Atom Count19
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(4-dimethylaminophenyl)methylideneamino]-2H-pyrazole-3-carboxamide
Canonical SMILES: CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=NN2
InChI: InChI=1/C13H15N5O/c1-18(2)11-5-3-10(4-6-11)9-15-17-13(19)12-7-8-14-16-
12/h3-9H,1-2H3,(H,14,16)(H,17,19)/f/h16-17H

 
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