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22948-54-5 | 1H-Pyrazole-1-carboxamide, 4-[2-(2,5-dimethylphenyl)hydrazinylidene]-4,5-dihydro-3-methyl-5-oxo-
CAS No: 22948-54-5 Catalog No: AG002LMP MDL No:
Product Description
Catalog Number:
AG002LMP
Chemical Name:
1H-Pyrazole-1-carboxamide, 4-[2-(2,5-dimethylphenyl)hydrazinylidene]-4,5-dihydro-3-methyl-5-oxo-
CAS Number:
22948-54-5
Molecular Formula:
C13H15N5O2
Molecular Weight:
273.2905
IUPAC Name:
4-[(2,5-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carboxamide
InChI:
InChI=1S/C13H15N5O2/c1-7-4-5-8(2)10(6-7)15-16-11-9(3)17-18(12(11)19)13(14)20/h4-6,17H,1-3H3,(H2,14,20)
InChI Key:
BQNHRUBOHRMJIK-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)NN=C1C(=NN(C1=O)C(=O)N)C)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.296g/mol
Monoisotopic Mass:
273.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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