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ZINC03475122 N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneami

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摘 要:ZINC03475122 N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino],cyclopropanecarboxamide,Canonical SMILES: CC1=NN(C(=C1C=NNC(=O)C2CC2)Cl)C3=CC=CC=C3,InChI: InChI=1/C15H15ClN4O/c1-10-13(9-17-18-15(21)11-7-8-11)14(16)20(19-10)12-,5-3-2-4-6-12/
[Synonyms]
ZINC03475122
[Structure]
ZINC03475122 N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneami

[ Properties Computed from Structure]
Molecular Weight302.7588 [g/mol]
Molecular FormulaC15H15ClN4O
XLogP3.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count2
Exact Mass302.093439
MonoIsotopic Mass302.093439
Topological Polar Surface Area59.3
Heavy Atom Count21
Formal Charge0
Complexity407
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-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]
cyclopropanecarboxamide
Canonical SMILES: CC1=NN(C(=C1C=NNC(=O)C2CC2)Cl)C3=CC=CC=C3
InChI: InChI=1/C15H15ClN4O/c1-10-13(9-17-18-15(21)11-7-8-11)14(16)20(19-10)12-
5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,18,21)/f/h18H

 
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