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Home > Pyridines > 101421-76-5
101421-76-5 | 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-pyridinyl)-
CAS No: 101421-76-5 Catalog No: AG0004GM MDL No:
Product Description
Catalog Number:
AG0004GM
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-(4-pyridinyl)-
CAS Number:
101421-76-5
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
IUPAC Name:
3-pyridin-4-yl-1,4-dihydropyrazol-5-one
InChI:
InChI=1S/C8H7N3O/c12-8-5-7(10-11-8)6-1-3-9-4-2-6/h1-4H,5H2,(H,11,12)
InChI Key:
VUAAYTSNTDGEQZ-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1)c1ccncc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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