Home Aminos 3-(phenylamino)-4,5-dihydro-1H-pyrazol-5-one

3-(phenylamino)-4,5-dihydro-1H-pyrazol-5-one

CAS No.:
7186-81-4
Catalog Number:
AG01B78L
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
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Product Description
Catalog Number:
AG01B78L
Chemical Name:
3-(phenylamino)-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
7186-81-4
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD02602369
IUPAC Name:
5-phenyliminopyrazolidin-3-one
InChI:
InChI=1S/C9H9N3O/c13-9-6-8(11-12-9)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)
InChI Key:
GPUWDUXYXXIUCI-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1)Nc1ccccc1
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties