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53666-79-8 | 3-Amino-1H-Pyrazol-5-ol
CAS No: 53666-79-8 Catalog No: AG0033KK MDL No:MFCD00204482
Product Description
Catalog Number:
AG0033KK
Chemical Name:
3-Amino-1H-Pyrazol-5-ol
CAS Number:
53666-79-8
Molecular Formula:
C3H5N3O
Molecular Weight:
99.0913
MDL Number:
MFCD00204482
IUPAC Name:
5-amino-1,2-dihydropyrazol-3-one
InChI:
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)
InChI Key:
QZBGOTVBHYKUDS-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(c1)O
EC Number:
258-691-1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.043g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
99.093g/mol
Monoisotopic Mass:
99.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives. | Acta poloniae pharmaceutica 20120101 |
| Green one pot solvent-free synthesis of pyrano[2,3-c]-pyrazoles and pyrazolo[1,5-a]pyrimidines. | Molecules (Basel, Switzerland) 20100920 |
| One-step synthesis of diarylpyrazolo[3,4-b]pyridines from isoflavones. | Journal of combinatorial chemistry 20100712 |
| Molecular structure and vibrational spectra of 3-amino-5-hydroxypyrazole by density functional method. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090101 |
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