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114682-26-7 | 3H-Pyrazol-3-one, 4-amino-1-ethyl-1,2-dihydro-5-methyl-2-phenyl-
CAS No: 114682-26-7 Catalog No: AG000F0O MDL No:
Product Description
Catalog Number:
AG000F0O
Chemical Name:
3H-Pyrazol-3-one, 4-amino-1-ethyl-1,2-dihydro-5-methyl-2-phenyl-
CAS Number:
114682-26-7
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
4-amino-1-ethyl-5-methyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C12H15N3O/c1-3-14-9(2)11(13)12(16)15(14)10-7-5-4-6-8-10/h4-8H,3,13H2,1-2H3
InChI Key:
JCCNUBZAROJBQI-UHFFFAOYSA-N
SMILES:
CCn1c(C)c(c(=O)n1c1ccccc1)N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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